SCHEMBL1749791

SCHEMBL1749791

C/C(=C/c1ccccc1)[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 6/20 1.00
▸ ALDH1A1 P00352 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ MITF O75030 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ NTSR1 P30989 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ PRMT1 Q99873 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ABL2 P42684 1/20 0.58
▸ TSHR P16473 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ RECQL P46063 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
SCHEMBL1032131 1.00 FBP1 (1.00) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL1127238 1.00 FBP1 (1.00) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL17558902 0.84 FBP1 (0.72) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL19397776 0.84 FBP1 (0.72) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL8624866 0.84 FBP1 (0.72) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL8624865 0.84 FBP1 (0.72) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL17558901 0.84 FBP1 (0.72) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL2746679 0.82 FBP1 (0.69) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL10664676 0.82 FBP1 (0.69) FBP1ALDH1A1LMNAMAPTMEN1
SCHEMBL2746675 0.82 FBP1 (0.69) FBP1ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982368-A1 Small molecule compounds displacing focal adhesion core components Universität Konstanz (DE) 2016-02-10 — — EP claimed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US disclosed
EP-3342767-B1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2021-04-14 — — EP disclosed
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-17 — — US disclosed
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-06-23 — — US disclosed
US-20190270731-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-05 — — US disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 — — EP disclosed
EP-3342767-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
US-20180030039-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2018-02-01 — — US disclosed
US-9663500-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-7723065-B2 Conditions for reactions mediated by yeast VICTORIA UNIVERSITY (AU) 2010-05-25 — — US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 — — US disclosed
US-7319130-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-15 — — US disclosed
US-7317063-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-08 — — US disclosed
US-20070055041-A1 Novel phenolic resins SWEDO RAYMOND J 2007-03-08 — — US disclosed
EP-1569975-A2 PHENOLIC RESINS ANGUS CHEMICAL COMPANY (US) 2005-09-07 — — EP disclosed
US-20050084943-A1 New conditions for reactions mediated by yeast VICTORIA UNIVERSITY OF TECHNOLOGY (AU) 2005-04-21 — — US disclosed
US-20040198926-A1 Novel phenolic resins ANGUS CHEMICAL COMPANY 2004-10-07 — — US disclosed
US-20040116647-A1 Novel phenolic resins ANGUS CHEMICAL COMPANY 2004-06-17 — — US disclosed
WO-2004050733-A2 PHENOLIC RESINS ANGUS CHEMICAL COMPANY (US) 2004-06-17 — — 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 (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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI FBP1 288/4885ALDH1A1 210/4885LMNA 1457/4885
US-10689372-B2 Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto PTGIR, PTGIS, PTGER1 FBP1 2895/4885ALDH1A1 737/4885LMNA 2865/4885
US-20200392123-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 FBP1 2895/4885ALDH1A1 737/4885LMNA 2865/4885
US-20040198926-A1 Novel phenolic resins PNMT, NNMT, PNN FBP1 2880/4885ALDH1A1 665/4885LMNA 710/4885
US-20180030039-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 FBP1 2895/4885ALDH1A1 737/4885LMNA 2865/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 FBP1 603/4885ALDH1A1 2168/4885LMNA 2854/4885
US-20190270731-A1 PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 FBP1 2895/4885ALDH1A1 737/4885LMNA 2865/4885

“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.

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