SCHEMBL12280717

SCHEMBL12280717

O=C(Nc1cnc(-c2c(CF)oc3c2CCCC3)cn1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ GAA P10253 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ LCLAT1 Q6UWP7 1/20 0.37

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
SCHEMBL12280274 0.90 NPC1 (0.43) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12280272 0.89 IL2 (0.45) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL12241312 0.86 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12241304 0.85 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12241323 0.84 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12156186 0.83 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12241311 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12280281 0.76 IL2 (0.44) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12155980 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12241307 0.75 IL2 (0.50) NPC1RAB9AALDH1A1MAPTKMT2A

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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885

“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