SCHEMBL1285643

SCHEMBL1285643

CCC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
CYP1A2 P05177 3/20 0.73
KDM4E B2RXH2 2/20 0.73
CYP2C19 P33261 2/20 0.73
HIF1A Q16665 1/20 0.73
MAPT P10636 5/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
POLB P06746 3/20 0.72
HPGD P15428 2/20 0.71
RAB9A P51151 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
NPC1 O15118 3/20 0.69
LMNA P02545 1/20 0.69
GAA P10253 3/20 0.69
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
NR4A1 P22736 1/20 0.57

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
SCHEMBL31152634 1.00 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL14157781 0.93 CYP3A4 (0.65) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL21294247 0.86 SMN1; SMN2 (0.80) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL31036037 0.86 SMN1; SMN2 (0.80) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL21765699 0.86 RAB9A (0.72) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL9291930 0.84 MEN1 (1.00) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL12731414 0.84 RAB9A (0.71) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL11710607 0.84 MAPT (0.74) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL11710601 0.84 MEN1 (0.74) ALDH1A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL521958 0.84 MAPT (1.00) ALDH1A1MEN1KMT2ACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
US-9682996-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2017-06-20 US disclosed
EP-2343299-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
EP-2474545-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-09 EP disclosed
EP-2426129-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-11-02 EP disclosed
EP-2455382-B1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2016-10-26 EP disclosed
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS Prism BioLab Co., Ltd. (JP) 2015-12-31 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 WO 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 (8 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO ALDH1A1 1511/4885MEN1 1064/4885KMT2A 3392/4885
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 ALDH1A1 2899/4885MEN1 4376/4885KMT2A 4046/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 ALDH1A1 538/4885MEN1 626/4885KMT2A 2117/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 ALDH1A1 1985/4885MEN1 3895/4885KMT2A 3492/4885
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO ALDH1A1 1511/4885MEN1 1064/4885KMT2A 3392/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT ALDH1A1 245/4885MEN1 1023/4885KMT2A 2643/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO ALDH1A1 1511/4885MEN1 1064/4885KMT2A 3392/4885
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 ALDH1A1 2753/4885MEN1 2962/4885KMT2A 1322/4885

“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.