SCHEMBL4639670

SCHEMBL4639670

Cc1ccc(COc2cccc(N)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.72
APP P05067 2/20 0.71
MAOA P21397 2/20 0.60
CYP3A4 P08684 2/20 0.58
TP53 P04637 1/20 0.58
HPD P32754 1/20 0.51
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
F2 P00734 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48

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
Hydrochloric Acid SCHEMBL9795656 0.98 MAOB (0.70) MAOBAPPMAOACYP3A4TP53
SCHEMBL4638518 0.88 MAOB (0.69) MAOBAPPMAOACYP3A4TP53
SCHEMBL4638480 0.85 MAOB (0.70) MAOBAPPMAOACYP3A4TP53
SCHEMBL9795738 0.85 MAOB (0.70) MAOBAPPCYP3A4TP53NPC1
SCHEMBL12182456 0.84 MAOB (0.74) MAOBAPPMAOAHPDNPC1
3-(Benzyloxy)Aniline SCHEMBL291445 0.84 MAOB (1.00) MAOBAPPMAOACYP3A4TP53
3-(Benzyloxy)Aniline SCHEMBL29428912 0.84 MAOB (1.00) MAOBAPPMAOACYP3A4TP53
SCHEMBL24726361 0.83 ALDH1A1 (0.59) MAOBAPPMAOARAB9AF2
SCHEMBL810623 0.83 MAOB (0.72) MAOBAPPMAOACYP3A4TP53
SCHEMBL4638746 0.83 MAOB (0.72) MAOBAPPMAOACYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
WO-2018068357-A1 NOVEL SIRT2 PROTEIN INHIBITOR AND PHARMACEUTICAL USE THEREOF 西华大学 2018-04-19 WO disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-0113922-A2 Process for the manufacture of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113920-A2 Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing BAYER AG (DE) 1984-07-25 EP disclosed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 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 (3 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885APP 2083/4885MAOA 686/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885APP 2083/4885MAOA 686/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 MAOB 21/4885APP 3342/4885MAOA 16/4885

“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.