SCHEMBL2197247

SCHEMBL2197247

COc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.57
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
FFAR1 O14842 1/20 0.50
ALOX5 P09917 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
PGR P06401 1/20 0.45
AR P10275 1/20 0.45

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
SCHEMBL2194097 0.91 CRHBP (0.52) SETD7MEN1KMT2AALDH1A1MAPT
SCHEMBL2857192 0.88 SETD7 (0.53) SETD7MEN1KMT2AALDH1A1MAPT
SCHEMBL2191722 0.88 RAB9A (0.55) SETD7MEN1KMT2AALDH1A1MAPT
SCHEMBL2190036 0.86 FFAR1 (0.66) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2196130 0.81 SETD7 (0.59) SETD7MEN1KMT2AALDH1A1MAPT
SCHEMBL2194430 0.80 KMT2A (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2190481 0.80 NPC1 (0.60) SETD7MEN1KMT2AALDH1A1MAPT
SCHEMBL2853892 0.79 BRAF (0.44) SETD7MEN1KMT2AALDH1A1MAPT
SCHEMBL2193226 0.79 RAB9A (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2855650 0.78 MEN1 (0.52) SETD7MEN1KMT2AALDH1A1MAPT

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 SETD7 754/4885MEN1 654/4885KMT2A 770/4885

“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.