SCHEMBL4872988

SCHEMBL4872988

O=C(Nc1ccc(-c2cc(-c3ccccc3Cl)no2)cc1)C(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.54
CYP2C19 P33261 5/20 0.54
NPC1 O15118 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP3A4 P08684 1/20 0.50
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACR P10323 1/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL5150374 0.89 MAPT (0.59) CYP1A2CYP2C19NPC1MEN1KMT2A
SCHEMBL4869419 0.87 MAPT (0.60) CYP1A2CYP2C19NPC1MEN1KMT2A
SCHEMBL4873337 0.82 MAPT (0.51) NPC1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL5148404 0.81 MAPT (0.58) CYP1A2CYP2C19NPC1MEN1KMT2A
SCHEMBL4869583 0.79 MAPT (0.45) MEN1KMT2AHPGDSMN1; SMN2RAB9A
SCHEMBL3801913 0.78 MAPT (0.45) CYP1A2CYP2C19NPC1MEN1KMT2A
SCHEMBL5152990 0.78 MAPT (0.52) CYP1A2CYP2C19NPC1MEN1KMT2A
SCHEMBL5153049 0.78 MAPT (0.54) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5150469 0.77 MAPT (0.75) CYP1A2CYP2C19NPC1MEN1KMT2A
SCHEMBL28930128 0.77 NPC1 (0.65) CYP1A2CYP2C19NPC1MEN1KMT2A

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-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US claimed
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-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-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
WO-2004099165-A2 HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040142985-A1 Heterocyclic compounds useful to treat HCV RIGEL PHARMACEUTICALS 2004-07-22 US 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 (2 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-20040142985-A1 Heterocyclic compounds useful to treat HCV HAVCR2, PCNA, HCCS CYP1A2 1370/4885CYP2C19 2841/4885NPC1 368/4885
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS CYP1A2 458/4885CYP2C19 1172/4885NPC1 703/4885

“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.