Benzene

Benzene

SCHEMBL5016963

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc3c(NS(C)(=O)=O)cccc3s2)cc1OC.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL5023088 0.92 KMT2A (0.43) KMT2AALDH1A1MEN1MAPK1MAPT
Benzene SCHEMBL5023466 0.92 FLT1 (0.39) KMT2AALDH1A1MEN1MAPK1MAPT
SCHEMBL5023522 0.90 ALDH1A1 (0.39) KMT2AALDH1A1MEN1MAPK1MAPT
SCHEMBL5022975 0.85 MEN1 (0.41) KMT2AALDH1A1MEN1MAPK1MAPT
SCHEMBL5027182 0.83 ACLY (0.39) KMT2AALDH1A1MEN1MAPK1KDM4E
SCHEMBL5016928 0.83 HSD17B10 (0.42) KMT2AALDH1A1MEN1MAPK1MAPT
Benzene SCHEMBL5016998 0.82 DYRK1A (0.39) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL5022953 0.81 KDM4E (0.53) KMT2AALDH1A1MEN1MAPK1MAPT
SCHEMBL27678046 0.79 KDM4E (0.37) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL27696376 0.79 MAPT (0.37) KMT2AALDH1A1MEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US claimed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US claimed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KMT2A 1259/4885ALDH1A1 716/4885MEN1 2848/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KMT2A 2119/4885ALDH1A1 274/4885MEN1 3370/4885

“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.