SCHEMBL2192229

SCHEMBL2192229

Nc1cc(Oc2cccc(NC(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FFAR1 O14842 1/20 0.48
CDK8 P49336 5/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
HPSE Q9Y251 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL2192232 1.00 MEN1 (0.48) MEN1KMT2AFFAR1CDK8CA12
SCHEMBL5345460 0.89 MEN1 (0.61) MEN1KMT2ACDK8MAPTLMNA
SCHEMBL3245417 0.83 MEN1 (0.49) MEN1KMT2AFFAR1MAPTLMNA
SCHEMBL3245411 0.83 MEN1 (0.49) MEN1KMT2AFFAR1MAPTLMNA
SCHEMBL3250424 0.83 NR4A1 (0.52) MEN1KMT2ACDK8CA12CA1
SCHEMBL5169615 0.82 FFAR1 (0.69) MEN1KMT2AFFAR1MAPTLMNA
SCHEMBL5169625 0.82 FFAR1 (0.69) MEN1KMT2AFFAR1MAPTLMNA
SCHEMBL2169225 0.81 TSHR (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2169236 0.81 TSHR (0.53) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL7807114 0.81 MAPT (0.58) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MEN1 654/4885KMT2A 770/4885FFAR1 3939/4885

“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.