SCHEMBL827293

SCHEMBL827293

CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc(N)cc3[N+](=O)[O-])ccc2F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 2/20 0.41
CCR6 P51684 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PDE7A Q13946 1/20 0.41
G6PD P11413 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDR P35968 5/20 0.38
BRAF P15056 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KCNMA1 Q12791 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
IKBKB O14920 1/20 0.36
RAF1 P04049 1/20 0.36
ERBB2 P04626 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
SCHEMBL2337315 0.82 G6PD (0.40) LMNAMAPTNPSR1POLBCCR6
SCHEMBL826337 0.82 BRAF (0.47) LMNAKDRBRAFALDH1A1IKBKB
SCHEMBL826544 0.80 BRAF (0.51) POLBKDRBRAFIKBKBRAF1
SCHEMBL2193812 0.79 PNLIP (0.46) KDR
SCHEMBL827616 0.78 BRAF (0.61) KDRBRAFIKBKBRAF1ERBB2
SCHEMBL2194675 0.78 PNLIP (0.44) LMNAMAPTCRHBPCRHR2ALDH1A1
SCHEMBL826757 0.76 KDR (0.48) KDRBRAFKCNMA1SMN1; SMN2IKBKB
SCHEMBL15139576 0.75 BRAF (0.53) KDRBRAFIKBKBRAF1ERBB2
SCHEMBL823625 0.75 BRAF (0.52) KDRBRAFIKBKBRAF1ERBB2
SCHEMBL15139584 0.73 BRAF (0.57) KDRBRAFIKBKBRAF1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497274-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-30 US disclosed
US-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 US disclosed
US-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US disclosed
EP-2358689-A1 Benzothiazole derivatives as anticancer agents Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 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 (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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 LMNA 4053/4885MAPT 4108/4885NPSR1 4092/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 LMNA 4053/4885MAPT 4108/4885NPSR1 4092/4885

“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.