SCHEMBL2614946

SCHEMBL2614946

Cc1cnc(-c2cccc(Cl)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
IDO1 P14902 3/20 0.49
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMO O15229 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
ESR2 Q92731 1/20 0.42
NUDT1 P36639 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL11683554 0.81 KDM1A (0.53) KDM1AMAOBIDO1HSD17B1HSD17B2
SCHEMBL23601607 0.81 KDM1A (0.53) KDM1AIDO1HSD17B1HSD17B2RAB9A
SCHEMBL5318865 0.79 KDM1A (0.50) KDM1AMAOBIDO1HSD17B1HSD17B2
SCHEMBL22040956 0.79 NPC1 (0.54) KDM1AHSD17B1HSD17B2RAB9ANPC1
SCHEMBL22053018 0.79 IDO1 (0.49) IDO1HSD17B1HSD17B2RAB9ANPC1
SCHEMBL10264655 0.79 CYP3A4 (0.54) KDM1AMAOBIDO1RAB9ANPC1
SCHEMBL30186373 0.79 HSD17B1 (0.79) KDM1AHSD17B1HSD17B2CYP19A1
SCHEMBL29686763 0.79 NPC1 (0.54) KDM1AHSD17B1HSD17B2RAB9ANPC1
SCHEMBL2609392 0.78 IDO1 (0.45) KDM1AMAOBIDO1HSD17B1HSD17B2
SCHEMBL2614945 0.77 NPC1 (0.47) KDM1AMAOBRAB9ANPC1SMN1; 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-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 KDM1A 1205/4885MAOB 931/4885IDO1 468/4885

“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.