Sugi Predict

Sugi Predict / Compounds / SCHEMBL826565

SCHEMBL826565

SCHEMBL826565

Nc1ccc(Oc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.57
▸ LMNA P02545 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 5/20 0.54
▸ TDP1 Q9NUW8 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.51
▸ KDR P35968 1/20 0.51
▸ GPR17 Q13304 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ KCNK3 O14649 1/20 0.48
▸ PYGL P06737 1/20 0.48

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
SCHEMBL826296 0.85 BRAF (0.60) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2193786 0.82 PTGS1 (0.67) PTGS1LMNAMEN1KMT2AALDH1A1
SCHEMBL825825 0.81 MAPT (0.46) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1456334 0.81 CRHBP (0.55) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2192224 0.80 FFAR1 (0.74) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL826107 0.79 KDR (0.59) PTGS1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1455103 0.78 ALDH1A1 (0.52) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22225314 0.78 PTGS1 (0.71) PTGS1LMNAMEN1KMT2AMAPT
SCHEMBL2334149 0.77 POLB (0.47) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11169458 0.77 LMNA (0.52) LMNASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300854-B Benzothiazole Derivatives As Anticancer Agents TAKEDA PHARMACEUTICAL 2015-01-07 — — CN 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 PTGS1 3190/4885LMNA 4053/4885SMN1; SMN2 4613/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 PTGS1 3190/4885LMNA 4053/4885SMN1; SMN2 4613/4885

“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.