SCHEMBL3430736

SCHEMBL3430736

O=C(NCc1cccnc1)Oc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.79
NAMPT P43490 2/20 0.61
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RECQL P46063 1/20 0.59
FAAH O00519 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 1/20 0.55
KEAP1 Q14145 1/20 0.55

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
SCHEMBL29881595 1.00 EPHX1 (0.79) EPHX1NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL27687099 0.91 EPHX1 (0.70) EPHX1NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL4189515 0.88 EPHX1 (1.00) EPHX1NAMPTLMNAHTTSMN1; SMN2
SCHEMBL5108159 0.84 NPC1 (0.69) EPHX1RECQLHTTHPGD
SCHEMBL590484 0.83 EPHX1 (0.77) EPHX1CYP3A4FAAHLMNAHTT
SCHEMBL1568902 0.83 NAMPT (0.65) EPHX1NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL2861622 0.83 EPHX1 (0.60) EPHX1NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL7742679 0.82 NAMPT (0.68) EPHX1NAMPTCYP1A2CYP3A4CYP2C9
SCHEMBL13955307 0.81 RECQL (0.66) EPHX1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8100690 0.81 EPHX1 (0.65) EPHX1NAMPTRECQLFAAHUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
WO-2020158841-A1 HYDRAZIDE COMPOUND AND KINASE INHIBITOR 日産化学株式会社 2020-08-06 WO disclosed
WO-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 WO disclosed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO disclosed
WO-2012002502-A1 DIHYDROPYRIMIDINONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 (JP) 2012-01-05 WO disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed
US-4172893-A Rodenticidal 3-pyridylmethyl phenyl carbamate metal salt complexes ROHM AND HAAS COMPANY (US) 1979-10-30 US disclosed
US-4075345-A 3-PYRIDYLMETHYL ARYL UREA RODENTICIDES COMPOSITIONS ROHM AND HAAS COMPANY (US) 1978-02-21 US disclosed
US-3994905-A 3-Pyridylmethyl aryl urea rodenticides ROHM AND HAAS COMPANY (US) 1976-11-30 US disclosed
US-3931203-A 3-Pyridylmethyl aryl urea rodenticides ROHM AND HAAS COMPANY (US) 1976-01-06 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 EPHX1 1384/4885NAMPT 1243/4885CYP1A2 4376/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT EPHX1 3475/4885NAMPT 1/4885CYP1A2 3759/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 EPHX1 1384/4885NAMPT 1243/4885CYP1A2 4376/4885

“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.