SCHEMBL4382932

SCHEMBL4382932

OB(O)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.53
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
TRPV1 Q8NER1 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPRZ1 P23471 1/20 0.49

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
SCHEMBL177678 0.92 FFAR1 (0.54) HTTCYP1A2FFAR1FFAR4CA1
SCHEMBL25405243 0.85 CA1 (0.64) FFAR1FFAR4CA1CA2MEN1
SCHEMBL1924100 0.83 HTT (0.78) HTTALDH1A1CYP1A2CYP2D6FFAR1
SCHEMBL29950965 0.81 CXCR1 (0.59) ALDH1A1MEN1GAAMAPTBLM
SCHEMBL29952491 0.80 ENPP2 (0.55) ALDH1A1FFAR1FFAR4MEN1GAA
SCHEMBL6356134 0.80 TRPV1 (0.58) CA1CA2TRPV1MEN1KMT2A
SCHEMBL15332273 0.80 MAOB (0.45) FFAR1MEN1MAPTKMT2AENPP2
SCHEMBL22628164 0.79 HTT (0.71) HTTALDH1A1CYP1A2CYP2D6FFAR1
N-Benzylaniline SCHEMBL7840 0.79 HTT (0.71) HTTALDH1A1CYP1A2CYP2D6FFAR1
SCHEMBL158251 0.78 MAPT (0.72) HTTALDH1A1CYP1A2CYP2D6FFAR1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8299290-B2 Boron containing functionalizing agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 2012-10-30 US disclosed
US-20120029234-A1 BORON CONTAINING FUNCTIONALIZING AGENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2012-02-02 US disclosed
US-8063152-B2 Boron containing functionalizing agent THE GOODYEAR TIRE & RUBBER COMPANY (US) 2011-11-22 US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20090229729-A1 BORON CONTAINING FUNCTIONALIZING AGENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2009-09-17 US disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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-20090229729-A1 BORON CONTAINING FUNCTIONALIZING AGENT BOLA2; BOLA2B, RBBP4, BRPF1 HTT 1753/4885ALDH1A1 2624/4885CYP1A2 907/4885
US-20120029234-A1 BORON CONTAINING FUNCTIONALIZING AGENT BOLA2; BOLA2B, RBBP4, BRPF1 HTT 1753/4885ALDH1A1 2624/4885CYP1A2 907/4885
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L HTT 3141/4885ALDH1A1 4167/4885CYP1A2 2802/4885

“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.