SCHEMBL4781928

SCHEMBL4781928

O=C(Nc1ccc(F)c(Cl)c1)c1cocn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
BACE1 P56817 1/20 0.53
SLC2A1 P11166 1/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
F2R P25116 1/20 0.52
LMNA P02545 1/20 0.51
FADS1 O60427 1/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50

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
SCHEMBL14169206 0.85 MEN1 (0.48) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL15886276 0.85 BACE1 (0.54) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4780733 0.84 MEN1 (0.47) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL4780736 0.84 MEN1 (0.47) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL25683741 0.82 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AKMT2ABACE1
SCHEMBL13210571 0.76 L3MBTL1 (0.67) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL7783276 0.76 MAOB (0.51) SMN1; SMN2NPC1RAB9ANPSR1KMT2A
SCHEMBL15867714 0.75 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL18027796 0.75 RAB9A (0.56) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL16692739 0.74 F2R (0.48) SMN1; SMN2NPC1RAB9ABACE1KDM4E

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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
WO-2008036652-A2 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO disclosed
WO-2008036652-A2 AMIDINES 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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SMN1; SMN2 4216/4885NPC1 4291/4885RAB9A 3383/4885

“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.