SCHEMBL1275258

SCHEMBL1275258

Cc1cc2c(cc1C)C(=O)CCC2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MAOA P21397 10/20 0.50
▸ MAOB P27338 10/20 0.50
▸ PRKCI P41743 1/20 0.50
▸ CYP2A6 P11509 1/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.45
▸ HSD17B1 P14061 2/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10389435 0.96 MEN1 (0.50) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL10389430 0.96 MEN1 (0.50) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL1273997 0.86 PBRM1 (0.47) MEN1KMT2AMAPK1NPSR1HSD17B1
SCHEMBL1027553 0.84 MAPK1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL10750496 0.84 MAPK1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL23782883 0.84 MEN1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL6171468 0.84 MAOA (0.53) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL11460835 0.84 MEN1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL7479520 0.84 MEN1 (0.49) MEN1KMT2AMAPK1NPSR1MAOA
SCHEMBL10102252 0.84 MAOA (0.53) MEN1KMT2AMAPK1NPSR1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 — — US disclosed
US-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 — — US disclosed
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 — — US disclosed
US-9062076-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-06-23 — — US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 — — US disclosed
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 — — US disclosed
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2012-10-25 — — US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 — — US disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 — — US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 — — US disclosed
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY 2006-02-02 — — US disclosed
EP-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 — — EP disclosed
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 — — US disclosed
CN-1187811-A 1-[omega-(3,4-dihydro-2-naphthalenyl) alkyl] cyclic amine derivatives, process for producing same, and medicinal composition containing same DAINIPPON PHARMACEUTICAL CO (JP) 1998-07-15 — — CN disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 — — EP disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 — — US disclosed
CN-1151744-A Phosphonic acid compounds, their prodn. and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-11 — — CN disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 — — EP disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 — — WO disclosed
US-4051248-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, NEUROLEPTIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-09-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 MEN1 4394/4885KMT2A 4025/4885MAPK1 3671/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 MEN1 4394/4885KMT2A 4025/4885MAPK1 3671/4885
US-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 MEN1 3782/4885KMT2A 4832/4885MAPK1 3818/4885
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS NQO1, AOX1, CYP4X1 MEN1 2913/4885KMT2A 1596/4885MAPK1 1641/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 MEN1 4135/4885KMT2A 2165/4885MAPK1 1169/4885
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC3, AOC2 MEN1 3720/4885KMT2A 2663/4885MAPK1 1103/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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