SCHEMBL2686936

SCHEMBL2686936

c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccc6[nH]cnc6c5)nc4c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.54
RAB9A P51151 12/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 10/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KDM4E B2RXH2 11/20 0.53
ALDH1A1 P00352 11/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TP53 P04637 3/20 0.53
GFER P55789 1/20 0.53
PKM P14618 5/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ABCB11 O95342 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL2569383 0.98 NPC1 (0.56) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL30822560 0.98 NPC1 (0.56) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL1459333 0.93 NPC1 (0.56) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL14669372 0.90 NPC1 (0.49) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL459808 0.88 NPC1 (0.54) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL4254034 0.87 NPC1 (0.62) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL31050185 0.87 NPC1 (0.62) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL18806843 0.86 MEN1 (0.52) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL14669396 0.86 NPC1 (0.55) NPC1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL14665660 0.85 NPC1 (0.44) NPC1RAB9AGAASMN1; SMN2POLB

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-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 NPC1 525/4885RAB9A 2914/4885GAA 2260/4885

“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.