Sugi Predict

Sugi Predict / Compounds / SCHEMBL807786

SCHEMBL807786

SCHEMBL807786

O=[N+]([O-])/C=C/c1ccc(Cl)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 4/20 0.61
▸ FBP1 P09467 14/20 0.58
▸ HSP90AA1 P07900 2/20 0.56
▸ MITF O75030 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ EGFR P00533 2/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ ABL2 P42684 1/20 0.53
▸ NPC1 O15118 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL793177 1.00 VCP (0.61) VCPFBP1HSP90AA1MITFALDH1A1
SCHEMBL807974 0.86 VCP (0.66) VCPFBP1HSP90AA1MITFALDH1A1
SCHEMBL793479 0.86 VCP (0.66) VCPFBP1HSP90AA1MITFALDH1A1
SCHEMBL4491460 0.84 VCP (0.72) VCPFBP1HSP90AA1MITFALDH1A1
SCHEMBL794027 0.84 FBP1 (0.63) VCPFBP1HSP90AA1ALDH1A1EGFR
SCHEMBL798036 0.84 FBP1 (0.63) VCPFBP1HSP90AA1ALDH1A1EGFR
SCHEMBL793784 0.84 VCP (0.72) VCPFBP1HSP90AA1MITFALDH1A1
SCHEMBL30592059 0.84 VCP (0.72) VCPFBP1HSP90AA1MITFALDH1A1
SCHEMBL560425 0.79 VCAM1 (0.67) VCPFBP1HSP90AA1MITFMAPT
SCHEMBL8010045 0.79 EGFR (0.72) VCPFBP1HSP90AA1MITFALDH1A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 — — US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 — — US disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 — — US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — WO disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 — — US disclosed
US-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 — — US disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 — — US disclosed
WO-2010060703-A1 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 — — WO disclosed
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 — — US disclosed
WO-2010040663-A1 PYRROLIDINE N-BENZYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 — — WO disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 — — CN disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 — — CN disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 — — US disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 — — US 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 (7 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-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 VCP 4008/4885FBP1 2478/4885HSP90AA1 1462/4885
US-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 VCP 3825/4885FBP1 4291/4885HSP90AA1 2776/4885
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES OPRK1, OPRD1, OPRL1 VCP 3703/4885FBP1 4597/4885HSP90AA1 2739/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 VCP 4008/4885FBP1 2478/4885HSP90AA1 1462/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 VCP 3800/4885FBP1 3219/4885HSP90AA1 2889/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC VCP 4523/4885FBP1 1724/4885HSP90AA1 2086/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 VCP 4008/4885FBP1 2478/4885HSP90AA1 1462/4885

“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.