SCHEMBL2989489

SCHEMBL2989489

O=C(O)NCCNC(=O)c1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
HPGD P15428 4/20 0.66
POLB P06746 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 1/20 0.58
SIGMAR1 Q99720 1/20 0.56
P2RX7 Q99572 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GPR139 Q6DWJ6 1/20 0.52

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
SCHEMBL1520287 0.84 NPC1 (0.69) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL27750343 0.84 NPC1 (0.68) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL27451737 0.84 NPC1 (0.68) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL9492505 0.84 HPGD (0.78) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL9492258 0.84 HPGD (0.78) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL6356707 0.83 NPC1 (1.00) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL10792384 0.82 HPGD (0.81) NPC1RAB9AHPGDPOLBSMN1; SMN2
SCHEMBL4706604 0.82 NPC1 (0.66) NPC1RAB9AHPGDPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL2990660 0.81 NPC1 (0.64) NPC1RAB9AHPGDPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4707532 0.81 NPC1 (0.64) NPC1RAB9AHPGDPOLBSMN1; 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
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 NPC1 566/4885RAB9A 2981/4885HPGD 233/4885

“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.