SCHEMBL6092813

SCHEMBL6092813

O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]c(-c3nccs3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
POLB P06746 2/20 0.48
BAZ1A Q9NRL2 2/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6092786 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6091760 0.90 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL4368860 0.86 ROCK2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6093269 0.86 ROCK2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6091814 0.85 MEN1 (0.55) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4377644 0.83 METAP1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4368921 0.83 METAP1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4372770 0.81 KDR (0.55) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL4365497 0.81 MAPT (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6092660 0.80 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 US claimed

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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 ALDH1A1 916/4885SMN1; SMN2 2413/4885MEN1 3556/4885

“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.