SCHEMBL1351804

SCHEMBL1351804

CNCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ HTT P42858 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ CYP3A4 P08684 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ FFAR1 O14842 11/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ GNA15 P30679 1/20 0.50
▸ PTGER3 P43115 1/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ BCHE P06276 1/20 0.49

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
SCHEMBL13948897 0.88 MMP13 (0.56) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948896 0.88 ALDH1A1 (0.70) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13948890 0.86 ALDH1A1 (0.55) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL23229951 0.86 PRMT6 (0.59) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13969804 0.86 KDM4E (0.48) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL24061764 0.86 CHRM2 (0.60) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL17227470 0.84 KDM4E (0.50) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL9420019 0.83 KDM4E (0.59) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8809177 0.83 ALDH1A1 (0.79) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL1108585 0.82 KDM4E (0.61) KDM4EALDH1A1HTTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9208538-A — — None — — JP disclosed
WO-2021072203-A1 TGFBETAR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 — — WO disclosed
WO-2021011834-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2021-01-21 — — WO disclosed
US-10011609-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2018-07-03 — — US disclosed
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-09-08 — — US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 — — US disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 — — US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 — — US disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 — — US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 — — US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 — — US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 — — EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 — — US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 — — WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 — — WO disclosed
US-6136863-A ETHERIFIED AROMATIC AMINE POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-10-24 — — US disclosed
JP-H09208538-A ANTIFUNGAL AGENT POLA CHEM IND INC 1997-08-12 — — JP 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KDM4E 786/4885ALDH1A1 3223/4885HTT 4140/4885
US-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 KDM4E 1795/4885ALDH1A1 1020/4885HTT 1420/4885
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 KDM4E 4302/4885ALDH1A1 1945/4885HTT 1864/4885
US-10011609-B2 Heterocyclic compounds GPR55, GPR68, GPR65 KDM4E 4216/4885ALDH1A1 1896/4885HTT 1215/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 KDM4E 3292/4885ALDH1A1 1498/4885HTT 2742/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KDM4E 847/4885ALDH1A1 239/4885HTT 2477/4885
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS GPR55, GPR68, GPR65 KDM4E 4286/4885ALDH1A1 1939/4885HTT 1669/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 KDM4E 847/4885ALDH1A1 239/4885HTT 2477/4885

“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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