SCHEMBL4638746

SCHEMBL4638746

Nc1cccc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.72
APP P05067 2/20 0.71
NR4A2 P43354 1/20 0.59
MAOA P21397 2/20 0.57
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
TP53 P04637 1/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
SMPD1 P17405 1/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
HPD P32754 1/20 0.51
F2 P00734 1/20 0.49

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
SCHEMBL14860962 0.85 MAOB (0.70) MAOBAPPNR4A2MAOACYP3A4
3-(Benzyloxy)Aniline SCHEMBL291445 0.84 MAOB (1.00) MAOBAPPNR4A2MAOACYP3A4
3-(Benzyloxy)Aniline SCHEMBL29428912 0.84 MAOB (1.00) MAOBAPPNR4A2MAOACYP3A4
SCHEMBL11087733 0.83 MAOB (0.63) MAOBAPPMAOACYP3A4TP53
SCHEMBL810623 0.83 MAOB (0.72) MAOBAPPNR4A2MAOACYP3A4
SCHEMBL810677 0.83 MAOB (0.72) MAOBAPPMAOACYP3A4TP53
SCHEMBL4639670 0.83 MAOB (0.72) MAOBAPPMAOACYP3A4TP53
3-(Benzyloxy)Aniline SCHEMBL11263814 0.82 MAOB (0.96) MAOBAPPNR4A2MAOACYP3A4
SCHEMBL4638967 0.82 MAOB (0.66) MAOBAPPMAOACYP3A4TP53
SCHEMBL9795738 0.81 MAOB (0.70) MAOBAPPCYP3A4TP53SMPD1

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 22 patents — showing the first 20. 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
US-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 US disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 US disclosed
EP-3307725-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-04-18 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
WO-2016198691-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2016-12-15 WO disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 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-0113921-A2 Process for the manufacture of stable solutions of cationic methine dyes 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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MAOB 2280/4885APP 3116/4885NR4A2 2777/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 MAOB 2350/4885APP 3106/4885NR4A2 2784/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MAOB 2350/4885APP 3106/4885NR4A2 2784/4885

“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.