SCHEMBL2539722

SCHEMBL2539722

Cc1cc(Cl)nc2ccc(CBr)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C19 P33261 2/20 0.76
HIF1A Q16665 1/20 0.76
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 2/20 0.40
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
LMNA P02545 3/20 0.36
CYP2D6 P10635 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL14286188 0.86 KDM4E (1.00) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL2540087 0.85 KDM4E (0.78) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL2534945 0.83 CYP3A4 (0.76) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL12638631 0.83 CYP1A2 (0.52) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL1599148 0.83 KDM4E (0.51) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL9724241 0.81 KDM4E (0.50) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL2537741 0.81 CYP3A4 (0.71) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL9724194 0.80 KDM4E (0.49) KDM4ECYP3A4CYP2C19HIF1AALDH1A1
SCHEMBL7059976 0.78 KDM4E (0.68) KDM4ECYP3A4CYP2C19HIF1AMAPT
SCHEMBL1223950 0.77 CYP2C19 (0.62) KDM4ECYP3A4CYP2C19HIF1AALDH1A1

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-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0318225-A2 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP 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 (1 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R KDM4E 728/4885CYP3A4 1329/4885CYP2C19 1644/4885

“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.