Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040141

SCHEMBL4040141

SCHEMBL4040141

CCOC(=O)c1cc2cccc(C)c2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ HPGD P15428 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ GLA P06280 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ CDK1 P06493 1/20 0.60
▸ CCNB1 P14635 1/20 0.60
▸ HSD17B10 Q99714 3/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.53
▸ ALOX15 P16050 1/20 0.52
▸ HRH4 Q9H3N8 4/20 0.52

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
SCHEMBL31501839 1.00 KDM4E (0.61) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4168669 0.89 RAB9A (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5635951 0.88 MMP1 (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4045458 0.87 RAB9A (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10506586 0.87 ALDH1A1 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6307061 0.85 CDK1 (0.75) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4040550 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29865409 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31501858 0.85 RAB9A (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1301646 0.85 RAB9A (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230612-A1 HETEROCYCLIC PAD4 INHIBITORS CELGENE CORPORATION (US) 2023-11-30 — — WO disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 — — US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 — — US disclosed
WO-2012170098-A2 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-13 — — WO disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 — — US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 — — US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 — — US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 — — US disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 — — EP disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 — — EP disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 — — US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 — — US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 — — WO disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 — — US disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 — — US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 — — WO disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 — — EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 — — 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 (5 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 KDM4E 2045/4885ALDH1A1 1203/4885HPGD 1383/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A KDM4E 657/4885ALDH1A1 225/4885HPGD 2929/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885ALDH1A1 2556/4885HPGD 3190/4885
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 KDM4E 3717/4885ALDH1A1 1888/4885HPGD 1094/4885
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME KDM4E 1572/4885ALDH1A1 215/4885HPGD 3780/4885

“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.