Sugi Predict

Sugi Predict / Compounds / SCHEMBL4511114

SCHEMBL4511114

SCHEMBL4511114

O=C(O)c1cc(F)c(F)cc1NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.56
▸ HPGD P15428 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HCAR3 P49019 3/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL3313227 0.93 CA1 (0.53) ROCK2HPGDCISD1CA12CA1
SCHEMBL15635143 0.93 CA1 (0.50) ROCK2HPGDCISD1CA12CA1
SCHEMBL6801259 0.87 CA1 (0.54) ROCK2HPGDCISD1CA12CA1
SCHEMBL31433781 0.87 ROCK2 (0.48) ROCK2HPGDCISD1CA12CA1
SCHEMBL4514005 0.87 CA1 (0.51) ROCK2HPGDCISD1CA12CA1
SCHEMBL27568581 0.82 ROCK2 (0.50) ROCK2HPGDCISD1CA12CA1
SCHEMBL4519070 0.81 ROCK2 (0.52) ROCK2HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL4514203 0.81 TSHR (0.48) ROCK2HPGDCISD1CA12CA1
SCHEMBL27566110 0.80 ROCK2 (0.51) ROCK2HPGDCISD1CA12CA1
SCHEMBL15638740 0.79 KEAP1 (0.47) ROCK2HPGDCISD1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2231451-A — — None — — JP disclosed
CN-104822653-B N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists 奥赖恩公司 2017-03-08 — — CN disclosed
EP-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 — — EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 — — US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 — — US disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 — — EP disclosed
CN-104822653-A N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists ORION CORP 2015-08-05 — — CN disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 — — WO disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 — — US disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 — — US disclosed
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 — — CN disclosed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 — — EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 — — WO disclosed
EP-0370686-B1 A process for preparing quinolone carboxylic acid intermediates PFIZER (US) 1993-12-29 — — EP disclosed
CN-1022183-C Process for preparing quinolone carboxylic acid intermediates PRIZER INC (US) 1993-09-22 — — CN disclosed
US-5064958-A CHEMICAL INTERMEDIATES FOR ANTIBACTERIAL COMPOUNDS PFIZER INC. (US) 1991-11-12 — — US disclosed
JP-H02231451-A METHOD SYNTHESIZING QUINOLONECARBOXYLIC ACID INTERMEDIATE PFIZER INC 1990-09-13 — — JP disclosed
US-4939290-A Bactericides PFIZER INC. (US) 1990-07-03 — — US disclosed
CN-1042906-A The method for preparing the Quinolonecar boxylic acid intermediate PFIZER (US) 1990-06-13 — — CN disclosed
EP-0370686-A2 A process for preparing quinolone carboxylic acid intermediates PFIZER INC. (US) 1990-05-30 — — 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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 ROCK2 3083/4885HPGD 2695/4885CISD1 2632/4885

“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.