SCHEMBL15511237

SCHEMBL15511237

C/C(=C/c1ccc(Cl)cc1F)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ABL2 P42684 1/20 0.43
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
JAK2 O60674 1/20 0.40
MITF O75030 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NTSR1 P30989 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 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
SCHEMBL15497055 1.00 FBP1 (0.44) FBP1ABL1EGFRABL2MAPT
SCHEMBL15511238 1.00 FBP1 (0.44) FBP1ABL1EGFRABL2MAPT
SCHEMBL30500145 0.84 GABRA1 (0.53) FBP1ABL1EGFRABL2MAPT
SCHEMBL1947929 0.84 GABRA1 (0.53) FBP1ABL1EGFRABL2MAPT
SCHEMBL1947930 0.84 GABRA1 (0.53) FBP1ABL1EGFRABL2MAPT
SCHEMBL29096549 0.79 ABL1 (0.55) FBP1ABL1EGFRABL2MAPT
SCHEMBL11856602 0.79 ABL1 (0.55) FBP1ABL1EGFRABL2MAPT
SCHEMBL441522 0.78 FBP1 (0.46) FBP1ABL1EGFRABL2MAPT
SCHEMBL453401 0.78 FBP1 (0.46) FBP1ABL1EGFRABL2MAPT
SCHEMBL3119062 0.77 FBP1 (0.58) FBP1ABL1EGFRABL2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083597-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS GRUENENTHAL GMBH (DE) 2017-11-22 EP disclosed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 US disclosed
EP-2906534-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2016-12-07 EP disclosed
EP-3083613-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV Grünenthal GmbH (DE) 2016-10-26 EP disclosed
EP-3083597-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2016-10-26 EP disclosed
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV GRUENENTHAL GMBH (DE) 2016-10-13 US disclosed
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III GRUENENTHAL GMBH (DE) 2016-10-06 US disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
EP-2906534-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2015-08-19 EP disclosed
WO-2015090599-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 WO disclosed
WO-2015090603-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2015-06-25 WO disclosed
WO-2014032801-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2014-03-06 WO disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 US disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 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 (4 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-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A FBP1 3099/4885ABL1 1982/4885EGFR 2052/4885
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III TRPV1, CACNA1B, CACNA1I FBP1 931/4885ABL1 1238/4885EGFR 3945/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G FBP1 916/4885ABL1 998/4885EGFR 3582/4885
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV TRPV1, CACNA1B, CACNA1I FBP1 1048/4885ABL1 1373/4885EGFR 3966/4885

“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.