SCHEMBL4730330

SCHEMBL4730330

ON=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
NPSR1 Q6W5P4 5/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
GAA P10253 1/20 0.47
SLC2A1 P11166 1/20 0.47
FADS1 O60427 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4730328 1.00 NPC1 (0.57) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4725605 0.83 NPC1 (0.83) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4727700 0.83 MEN1 (0.58) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL14261422 0.83 NPC1 (0.57) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4727691 0.80 MEN1 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4727694 0.80 MEN1 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29899957 0.80 PTPN1 (0.55) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4730870 0.79 MAPT (0.67) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4730873 0.79 MAPT (0.67) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL2191268 0.78 MEN1 (0.53) NPC1RAB9AMEN1KMT2ANPSR1

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 5 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
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 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 (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 3335/4885MEN1 1772/4885

“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.