SCHEMBL9458666

SCHEMBL9458666

Cc1cc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.54
MAPK14 Q16539 3/20 0.54
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PSMB5 P28074 1/20 0.42

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
SCHEMBL5823535 0.89 GCGR (0.71) GCGRMAPK14HPGDALDH1A1
SCHEMBL8498146 0.89 GCGR (0.57) GCGRMAPK14HPGDALDH1A1KDM4E
SCHEMBL5311606 0.82 CA2 (0.54)
SCHEMBL6195404 0.82 SMN1; SMN2 (0.47) GCGRMAPK14HPGDALDH1A1KDM4E
SCHEMBL3504485 0.80 PDE3B (0.56) HPGDALDH1A1KDM4ESMN1; SMN2PDE4A
SCHEMBL17054242 0.80 HPGDS (0.46) HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL30726109 0.79 GCGR (0.56) GCGRMAPK14SMN1; SMN2
SCHEMBL6960951 0.77 PDE4A (0.44) HPGDALDH1A1KDM4ESMN1; SMN2PDE4A
SCHEMBL14028213 0.76 PDE4A (0.49) HPGDALDH1A1KDM4ESMN1; SMN2PDE4A
SCHEMBL7983759 0.76 GCGR (0.53) GCGRMAPK14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866484-B A method of preparing pyrroles, imidazoles, oxazole derivatives 中国科学院大连化学物理研究所 2019-04-09 CN disclosed
US-8044072-B2 Pyrrole derivatives, preparation thereof and therapeutic use thereof SANOFI AVENTIS (FR) 2011-10-25 US disclosed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20090281116-A1 PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-11-12 US disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-5260451-A Enzyme inhibitors MERCKLE GMBH (DE) 1993-11-09 US disclosed
EP-0397175-A1 Substituted pyrrolizine compounds and theit use as pharmaceuticals Dannhardt, Gerd, Prof.Dr. (DE) 1990-11-14 EP disclosed
US-4477463-A Antiinflammatory and/or analgesic 1-alkyl-4,5-diaryl-2-fluoroalkyl-1H-pyrroles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-16 US disclosed
US-4318917-A PREPARED FROM A PYRROLE COMPOUND AND A 1-3-DITHIETANE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-03-09 US disclosed
EP-0044485-A1 Antiinflammatory 2,3-diaryl-5(2,2,2-trifluoro-1-(trifluoromethyl)-ethyl)-1H-pyrroles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-27 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 (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-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF PYCR1, FARS2, WEE1 GCGR 2257/4885MAPK14 3172/4885HPGD 240/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR GCGR 1580/4885MAPK14 4764/4885HPGD 732/4885
US-20090281116-A1 PYRROLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, PYCR1, EPOR GCGR 1912/4885MAPK14 4739/4885HPGD 444/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 GCGR 4082/4885MAPK14 985/4885HPGD 424/4885

“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.