SCHEMBL4873849

SCHEMBL4873849

O=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)on2)c1)C(Cl)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 3/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
JAK3 P52333 2/20 0.51
CNR1 P21554 1/20 0.43
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 4/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PDK1 Q15118 1/20 0.39
RAB9A P51151 1/20 0.38
RAF1 P04049 1/20 0.38
CYP1A2 P05177 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
SCHEMBL5150469 0.91 MAPT (0.75) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL4873337 0.89 MAPT (0.51) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5182393 0.88 MAPT (0.65) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5150494 0.87 MAPT (0.66) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5154707 0.86 MAPT (0.68) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5150476 0.86 MAPT (0.65) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5150488 0.85 MAPT (0.64) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5181071 0.85 MAPT (0.67) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5150374 0.84 MAPT (0.59) MAPTALDH1A1POLBKDM4EMAPK1
SCHEMBL5152995 0.84 JAK3 (0.54) MAPTALDH1A1POLBKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7220745-B2 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS (US) 2007-05-22 US disclosed
EP-1451162-A4 SUBSTITUTED DIPHENYL HETEROCYCLES USEFUL FOR TREATING HCV INFECTION RIGEL PHARMACEUTICALS INC (US) 2007-02-07 EP disclosed
US-7153880-B2 Substituted diphenyl heterocycles useful for treating HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-12-26 US disclosed
US-7115642-B2 Substituted diphenyl isoxazoles, pyrazoles and oxadiazoles useful for treating HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1641452-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV Rigel Pharmaceuticals (US) 2006-04-05 EP disclosed
EP-1620412-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF Rigel Pharmaceuticals, Inc. (US) 2006-02-01 EP disclosed
US-20040266840-A1 Substituted diphenyl isoxazoles, pyrazoles and oxadiazoles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2004-12-30 US disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 US disclosed
WO-2004103366-A1 HETEROCYCLIC COMPOUNDS USEFUL TO TREAT HCV RIGEL PHARMACEUTICALS (US) 2004-12-02 WO disclosed
US-20040236112-A1 Substituted diphenyl heterocycles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2004-11-25 US disclosed
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
EP-1451162-A1 SUBSTITUTED DIPHENYL HETEROCYCLES USEFUL FOR TREATING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 US disclosed
US-6759538-B2 PREVENTION INFECTIONS OF HEPATITIS C VIRUS RIGEL PHARMACEUTICALS, INC. 2004-07-06 US disclosed
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2003-09-04 US disclosed
WO-2003040112-A1 SUBSTITUTED DIPHENYL HETEROCYCLES USEFUL FOR TREATING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2003-05-15 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 (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-20040266840-A1 Substituted diphenyl isoxazoles, pyrazoles and oxadiazoles useful for treating HCV infection HAVCR2, MAVS, RPL35 MAPT 4321/4885ALDH1A1 733/4885POLB 577/4885
US-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS MAPT 4317/4885ALDH1A1 1236/4885POLB 181/4885
US-20040236112-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA MAPT 4524/4885ALDH1A1 984/4885POLB 384/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS MAPT 4266/4885ALDH1A1 491/4885POLB 110/4885
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA MAPT 4524/4885ALDH1A1 984/4885POLB 384/4885

“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.