SCHEMBL2247599

SCHEMBL2247599

Clc1ccc(-c2nc3cc(N4CCCC4)ccc3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ MAOB P27338 1/20 0.54
▸ CASP3 P42574 3/20 0.54
▸ SENP7 Q9BQF6 3/20 0.54
▸ SENP6 Q9GZR1 2/20 0.54
▸ MAOA P21397 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ FASN P49327 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL9112458 0.91 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL38661261 0.88 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29479840 0.85 PIK3CB (0.57) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2244438 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2249941 0.81 RAB9A (0.68) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2240641 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2245678 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11242605 0.77 KDM4E (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1675514 0.77 HDAC6 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13568696 0.76 HDAC6 (0.55) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 — — 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-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 NPC1 2477/4885RAB9A 3748/4885SMN1; SMN2 4/4885

“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.

Send feedback