SCHEMBL5881005

SCHEMBL5881005

Cc1ccc(-c2c([N+](=O)[O-])ccc(O)c2N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 1/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
CASP6 P55212 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 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
SCHEMBL27262879 0.79 MAPK1 (0.54) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL28747274 0.79 MEN1 (0.50) TSHRSMN1; SMN2CYP3A4TP53HPGD
SCHEMBL5880959 0.76 MAPT (0.48) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL28748175 0.75 TP53 (0.45) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL9247312 0.73 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL28249205 0.72 ALOX15 (0.51) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL848506 0.71 TSHR (0.80) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL6712883 0.70 MAPK1 (0.57) TSHRSMN1; SMN2ALDH1A1CYP3A4TP53
SCHEMBL2933790 0.70 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1CYP3A4MAPK1
SCHEMBL8501106 0.70 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 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 (1 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 TSHR 4150/4885SMN1; SMN2 933/4885ALDH1A1 29/4885

“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.