SCHEMBL4829264

SCHEMBL4829264

COCCOc1nc(C)cc(OCC(F)(F)F)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.36
AMD1 P17707 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL1704969 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1KDM4EMAPT
SCHEMBL4829296 0.79 S1PR4 (0.39) MAPTCYP1A2HCRTR1HCRTR2CYP2C19
SCHEMBL6475032 0.76 MAPT (0.36) HSP90AA1HSP90AB1ALDH1A1KDM4EMAPT
SCHEMBL1705138 0.75 CYP1A2 (0.38) ALDH1A1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL15716080 0.68 TSHR (0.47) ALDH1A1CASP1HSD17B10TSHRNUDT1
SCHEMBL21756757 0.67 ALDH1A1 (0.42) HSP90AA1HSP90AB1ALDH1A1KDM4EMAPT
SCHEMBL15716606 0.67 TRPV1 (0.40) KDM4ETSHRSQORMBOAT4
SCHEMBL1705478 0.66 CFTR (0.39) HSP90AA1HSP90AB1ALDH1A1KDM4EMAPT
SCHEMBL24226818 0.65 TSHR (0.40) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL13575846 0.64 PIK3CA (0.41) HSP90AA1HSP90AB1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 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-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 HSP90AA1 2612/4885HSP90AB1 2786/4885ALDH1A1 298/4885

“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.