SCHEMBL256938

SCHEMBL256938

Cc1cc2[nH]c(=O)cc(-c3ccc(F)cc3)n2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
PLAT P00750 3/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.38
STAT1 P42224 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL257310 0.87 NPC1 (0.68) NPC1RAB9APLATPOLBCYP1A2
SCHEMBL257697 0.86 NPC1 (0.67) NPC1RAB9APLATPOLBCYP1A2
SCHEMBL257549 0.86 NPC1 (0.74) NPC1RAB9APLATPOLBCYP1A2
SCHEMBL257543 0.79 NPC1 (0.77) NPC1RAB9APLATCYP1A2PARP1
SCHEMBL15020774 0.76 NPC1 (0.60) NPC1RAB9APLATCYP1A2PARP1
SCHEMBL461719 0.73 NPC1 (0.59) NPC1RAB9ACYP1A2PARP1ALDH1A1
SCHEMBL256944 0.72 PLAT (0.51) NPC1RAB9APLATALDH1A1KDM4E
SCHEMBL5461696 0.70 NPC1 (0.56) NPC1RAB9ACYP1A2PARP1ALDH1A1
SCHEMBL257430 0.69 PLAT (0.61) PLATSTAT1
SCHEMBL10072359 0.69 ARF6 (0.48) PLATALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 US disclosed
US-8975264-B2 Compound acting as a cannabinoid receptor-1 inhibitor AMOREPACIFIC CORPORATION (KR) 2015-03-10 US disclosed
EP-2617723-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR Amorepacific Corporation (KR) 2013-07-24 EP disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 US disclosed
US-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR AMOREPACIFIC CORPORATION (KR) 2013-06-20 US disclosed
WO-2012030170-A2 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR (주)아모레퍼시픽 (KR) 2012-03-08 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-20130158025-A1 NOVEL COMPOUND ACTING AS A CANNABINOID RECEPTOR-1 INHIBITOR CNR1, CNR2, GPR18 NPC1 114/4885RAB9A 542/4885PLAT 3840/4885

“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.