SCHEMBL1615078

SCHEMBL1615078

CCCCn1c(-c2cccc(OCc3cc(Cl)cc(Cl)c3)c2)nc2ccc(OCCN3CCNCC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE2A O00408 1/20 0.42
AVPR1B P47901 8/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2C P28335 1/20 0.40
TP53 P04637 1/20 0.38

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
SCHEMBL14417424 0.95 KDM4E (0.46) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1283253 0.94 ESR1 (0.46) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1282751 0.91 KDM4E (0.45) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1283537 0.91 ESR1 (0.45) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1282660 0.89 SLC6A4 (0.45) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1283032 0.89 SLC6A4 (0.50) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1282839 0.87 ESR1 (0.44) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1283549 0.87 SLC6A4 (0.46) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1282919 0.87 PDE2A (0.46) ESR1KDM4EALDH1A1PDE2AAVPR1B
SCHEMBL1282596 0.86 ESR1 (0.42) ESR1PDE2AAVPR1B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ESR1 144/4885KDM4E 4107/4885ALDH1A1 3404/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ESR1 133/4885KDM4E 4138/4885ALDH1A1 3093/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ESR1 133/4885KDM4E 4138/4885ALDH1A1 3093/4885

“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.