SCHEMBL3252986

SCHEMBL3252986

COc1ccc(-c2ccncc2)cc1C=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.66
CYP17A1 P05093 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL4600135 0.83 ALDH1A1 (0.62) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4729694 0.83 DYRK1A (0.55) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL8325220 0.82 ERN1 (0.64) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4734973 0.81 ERN1 (0.69) ERN1CYP17A1KDM4EMAPT
SCHEMBL12678662 0.81 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4599426 0.81 ERN1 (0.54) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6098384 0.81 ALDH1A1 (0.63) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL19792588 0.81 ERN1 (0.71) ERN1ALDH1A1KDM4EMAPTMEN1
SCHEMBL21780501 0.81 ERN1 (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL695541 0.80 ERN1 (0.56) ERN1ALDH1A1KDM4ETSHRTDP1

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
US-20240410055-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2024-12-12 US disclosed
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
WO-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 WO disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
EP-1833477-B1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2010-06-02 EP disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
EP-1833477-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES Novartis AG (CH) 2007-09-19 EP disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO disclosed
WO-2006063820-A1 PYRAZOLO-HETEROARYL COMPOUNDS USEFUL TO TREAT TNF-ALPHA AND IL-1 MEDIATED DISEASES NOVARTIS AG (CH) 2006-06-22 WO disclosed
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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 (3 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-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX ERN1 2740/4885CYP17A1 365/4885ALDH1A1 1315/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO ERN1 2925/4885CYP17A1 2754/4885ALDH1A1 1638/4885
US-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 ERN1 4004/4885CYP17A1 1226/4885ALDH1A1 2029/4885

“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.