SCHEMBL5150488

SCHEMBL5150488

O=C(Nc1cccc(-c2cc(-c3c(Cl)ccc(Cl)c3Cl)no2)c1)C(Cl)Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.64
POLB P06746 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
JAK3 P52333 2/20 0.46
PTPN1 P18031 3/20 0.43
PTPRA P18433 1/20 0.43
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDK1 Q15118 1/20 0.39
CNR1 P21554 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39

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 0.92 MAPT (0.75) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5150773 0.91 MAPT (0.59) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5852539 0.88 MAPT (0.58) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5150494 0.88 MAPT (0.66) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5154707 0.87 MAPT (0.68) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5182393 0.87 MAPT (0.65) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5150476 0.87 MAPT (0.65) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL14276298 0.87 MAPT (0.64) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5148404 0.87 MAPT (0.58) MAPTPOLBALDH1A1MAPK1KDM4E
SCHEMBL5141550 0.86 MAPT (0.61) MAPTPOLBALDH1A1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040266840-A1 Substituted diphenyl isoxazoles, pyrazoles and oxadiazoles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2004-12-30 US disclosed
US-20040236112-A1 Substituted diphenyl heterocycles useful for treating HCV infection MIDCAP FINANCIAL TRUST 2004-11-25 US disclosed
WO-2004099164-A1 SUBSTITUTED DIPHENYL ISOXAZOLES, PYRAZOLES AND OXADIAZOLES USEFUL FOR TREATING HCV INFECTION 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-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 (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-20040266840-A1 Substituted diphenyl isoxazoles, pyrazoles and oxadiazoles useful for treating HCV infection HAVCR2, MAVS, RPL35 MAPT 4321/4885POLB 577/4885ALDH1A1 733/4885
US-20040236112-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA MAPT 4524/4885POLB 384/4885ALDH1A1 984/4885
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA MAPT 4524/4885POLB 384/4885ALDH1A1 984/4885

“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.