SCHEMBL4640040

SCHEMBL4640040

Nc1cccc(OCc2c(F)ccc(Cl)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 1/20 0.46
APP P05067 1/20 0.46
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.38
AR P10275 1/20 0.37
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4638723 0.88 CYP3A4 (0.54) MAOBMEN1KMT2ACYP3A4CYP1A2
SCHEMBL31172240 0.85 KMT2A (0.60) MAOBMEN1KMT2ACYP3A4APP
SCHEMBL4639245 0.85 MAOB (0.51) MAOBMEN1KMT2ACYP3A4CYP1A2
SCHEMBL4638799 0.85 KMT2A (0.60) MAOBMEN1KMT2ACYP3A4APP
SCHEMBL4638517 0.83 MAOB (0.59) MAOBMEN1KMT2ACYP3A4CYP1A2
SCHEMBL31172133 0.83 MAOB (0.59) MAOBMEN1KMT2ACYP3A4CYP1A2
SCHEMBL13577206 0.82 KDM4E (0.41) MAOBMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4640035 0.80 NR4A2 (0.46) MAOBRAB9A
SCHEMBL4639191 0.80 MAOB (0.59) MAOBMEN1KMT2ACYP3A4CYP1A2
SCHEMBL4638542 0.79 MAOB (0.51) MAOBMEN1KMT2ACYP3A4CYP1A2

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 654/4885MEN1 4434/4885KMT2A 4657/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAOB 654/4885MEN1 4434/4885KMT2A 4657/4885

“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.