SCHEMBL5150159

SCHEMBL5150159

O=C(Nc1cccc(-c2cc(-c3ccccc3Br)no2)c1)C(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 4/20 0.48
JAK3 P52333 2/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
PTPN1 P18031 2/20 0.40
PTPRA P18433 1/20 0.40
TP53 P04637 5/20 0.39
NPC1 O15118 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C19 P33261 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 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
SCHEMBL5152990 0.89 MAPT (0.52) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5150374 0.88 MAPT (0.59) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5154660 0.86 MAPT (0.52) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5153052 0.86 MAPT (0.49) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5152995 0.85 JAK3 (0.54) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5182393 0.85 MAPT (0.65) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL27594143 0.85 MAPT (0.50) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5148404 0.85 MAPT (0.58) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5150405 0.84 MAPT (0.48) MAPTALDH1A1JAK3POLBMAPK1
SCHEMBL5852458 0.84 MAPT (0.50) MAPTALDH1A1JAK3POLBMAPK1

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 4321/4885ALDH1A1 733/4885JAK3 134/4885
US-20040236112-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA MAPT 4524/4885ALDH1A1 984/4885JAK3 1144/4885
US-20030165561-A1 Substituted diphenyl heterocycles useful for treating HCV infection HAVCR2, HCCS, PCNA MAPT 4524/4885ALDH1A1 984/4885JAK3 1144/4885

“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.