SCHEMBL2441850

SCHEMBL2441850

O=C(Nc1ccc2ccccc2c1)c1noc2ccc(F)cc12

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 15/20 0.76
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 2/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL2448406 0.79 HIF1A (0.76) HIF1ANPC1RAB9AKDM4ECASP3
SCHEMBL2441805 0.79 HIF1A (0.68) HIF1ANPC1RAB9AKDM4ECASP3
SCHEMBL2438808 0.72 HIF1A (0.65) HIF1ANPC1RAB9AKDM4ECASP3
SCHEMBL2439294 0.72 TP53 (0.46) HIF1ANPC1RAB9AKDM4EMAPT
SCHEMBL18027619 0.72 NPC1 (0.78) NPC1RAB9AKDM4ECASP3SENP7
SCHEMBL2446170 0.72 HIF1A (0.58) HIF1ANPC1RAB9AKDM4ECASP3
SCHEMBL13576771 0.72 MEN1 (0.41) HIF1ANPC1RAB9AKDM4EMAPT
SCHEMBL2440490 0.71 HIF1A (0.54) HIF1ANPC1RAB9AKDM4EMAPT
SCHEMBL2442078 0.71 HIF1A (0.46) HIF1ANPC1RAB9AMAPTMEN1
SCHEMBL14113772 0.71 RAB9A (0.46) HIF1ANPC1RAB9AMAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893589-B1 SUBSTITUTED N-BENZO [D] ISOXAZOL-3-YL-AMINE DERIVATIVES AS INHIBITORS OF MGLUR5, SEROTONINE (5-HT) AND NORADRENALINE RECEPTORS, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-09-14 EP claimed
US-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
US-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof GRUENENTHAL GMBH (DE) 2008-12-18 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 (1 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-20080312301-A1 Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof HTR5A, NPY5R, GRM5 HIF1A 2528/4885NPC1 1395/4885RAB9A 1962/4885

“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.