SCHEMBL4726650

SCHEMBL4726650

ON=C(Nc1ccc(F)c(Cl)c1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CDK8 P49336 1/20 0.47
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PNLIP P16233 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
AKR1C3 P42330 1/20 0.42
SLC2A1 P11166 1/20 0.42
FADS1 O60427 1/20 0.41

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
SCHEMBL4726649 1.00 NPC1 (0.54) NPC1RAB9ACDK8MAPTHTT
SCHEMBL4729797 0.86 MAPT (0.55) NPC1RAB9AMAPTHTTMEN1
SCHEMBL4729799 0.86 MAPT (0.55) NPC1RAB9AMAPTHTTMEN1
SCHEMBL14214469 0.85 NPC1 (0.54) NPC1RAB9ACDK8MAPTHTT
SCHEMBL4726652 0.78 IDO1 (0.56) MEN1KMT2AHDAC8HDAC1HDAC6
SCHEMBL4730328 0.78 NPC1 (0.57) NPC1RAB9AMAPTHTTMEN1
SCHEMBL4730330 0.78 NPC1 (0.57) NPC1RAB9AMAPTHTTMEN1
SCHEMBL4727691 0.75 MEN1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4727694 0.75 MEN1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4730870 0.74 MAPT (0.67) NPC1RAB9AMAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT NPC1 2658/4885RAB9A 3335/4885CDK8 1216/4885

“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.