SCHEMBL4510340

SCHEMBL4510340

COc1ccc(CC(O)CN2CCN(CC(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR1 P21554 1/20 0.48
CYP2D6 P10635 1/20 0.48
POLB P06746 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL4511466 0.91 MEN1 (0.54) MEN1KMT2AALDH1A1LMNATHRB
SCHEMBL4503367 0.91 MEN1 (0.49) MEN1KMT2AALDH1A1LMNATHRB
SCHEMBL4496607 0.88 LMNA (0.60) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL4500396 0.86 LMNA (0.55) MEN1KMT2AALDH1A1LMNACYP2D6
SCHEMBL4858627 0.83 CYP2D6 (0.48) MEN1KMT2AALDH1A1LMNACYP2D6
SCHEMBL4502773 0.83 MEN1 (0.55) MEN1KMT2AALDH1A1LMNATHRB
SCHEMBL4491381 0.81 LMNA (0.70) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL5224753 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNACYP2D6
SCHEMBL4486172 0.79 LMNA (0.58) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL5223079 0.78 CYP2D6 (0.48) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 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 (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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A MEN1 4263/4885KMT2A 2698/4885ALDH1A1 215/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 3200/4885KMT2A 3201/4885ALDH1A1 245/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885ALDH1A1 281/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885ALDH1A1 281/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885ALDH1A1 281/4885

“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.