SCHEMBL6949538

SCHEMBL6949538

CSc1cc(N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
PDE7A Q13946 2/20 0.49
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.46
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.43
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8447032 0.86 SLC6A4 (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1192794 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1192999 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6152052 0.83 TSHR (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6974220 0.81 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1192600 0.81 MAPT (0.44) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9525231 0.81 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30954088 0.81 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30458055 0.81 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1193334 0.81 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2ALMNA

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
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed
EP-0994890-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 EP disclosed
US-6455507-B1 E.G., 2-BROMO-5,6-DICHLORO-1-BETA-D-RIBOPYRANOSYL-1H-BENZIMIDAZOLE; VIRICIDES, ESPECIALLY INFECTIONS OF HERPES AND CYTOMEGALO VIRUSES SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-20020094963-A1 BENZIMIDAZOLE DERIVATIVES GLAXO WELLCOME INC. 2002-07-18 US disclosed
US-6413938-B1 HERPES VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-02 US disclosed
EP-0994890-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-04-26 EP disclosed
EP-0970100-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-12 EP disclosed
WO-1998056761-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-12-17 WO disclosed
WO-1998035977-A1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-08-20 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 (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-20020094963-A1 BENZIMIDAZOLE DERIVATIVES ZC3HAV1, BRPF3, BRD3 MAPT 1828/4885ALDH1A1 709/4885MEN1 2972/4885

“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.