Sugi Predict

Sugi Predict / Compounds / SCHEMBL826543

SCHEMBL826543

SCHEMBL826543

N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ HTT P42858 7/20 0.53
▸ LMNA P02545 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ MAPT P10636 9/20 0.52
▸ EYA2 O00167 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ TP53 P04637 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ PLA2G7 Q13093 1/20 0.46
▸ FFAR1 O14842 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL826758 0.83 KDM4E (0.46) HTTMAPTALDH1A1TP53NPSR1
SCHEMBL826448 0.83 HTT (0.47) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL2192999 0.81 FFAR1 (0.60) MEN1KMT2AHTTLMNAMAPT
SCHEMBL11092774 0.79 LMNA (0.49) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL827385 0.79 BRAF (0.58) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL11342506 0.78 LMNA (0.54) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL6052442 0.76 VCAM1 (0.53) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL825825 0.76 MAPT (0.46) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL14267699 0.76 KMT2A (0.69) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL826497 0.76 ALDH1A1 (0.60) MEN1KMT2AHTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358689-B9 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2016-08-03 — — EP disclosed
EP-2358689-B1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2015-09-30 — — EP disclosed
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 MEN1 692/4885KMT2A 1093/4885HTT 3039/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MEN1 692/4885KMT2A 1093/4885HTT 3039/4885

“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.