SCHEMBL335436

SCHEMBL335436

Nc1nc2ccc(NC(=O)[C@H](O)[C@@H](N)c3ccccc3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ EPHX2 P34913 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ BAZ1A Q9NRL2 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ PIK3CA P42336 1/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL335590 0.79 NPC1 (0.50) NPC1RAB9AEPHX2LMNAALDH1A1
SCHEMBL24104684 0.78 EPHX2 (0.78) NPC1RAB9AEPHX2LMNAALDH1A1
SCHEMBL30136374 0.78 EPHX2 (0.78) NPC1RAB9AEPHX2LMNAALDH1A1
SCHEMBL4123591 0.77 ACP1 (0.48) NPC1RAB9ALMNAALDH1A1BAZ1A
SCHEMBL335832 0.77 ACP1 (0.48) NPC1RAB9ALMNAALDH1A1BAZ1A
SCHEMBL4109421 0.77 ACP1 (0.48) NPC1RAB9ALMNAALDH1A1BAZ1A
SCHEMBL335151 0.77 NPC1 (0.48) NPC1RAB9AEPHX2LMNAALDH1A1
SCHEMBL8218636 0.77 NPC1 (0.46) NPC1RAB9AEPHX2LMNAALDH1A1
SCHEMBL9722750 0.77 NPC1 (0.76) NPC1RAB9AEPHX2LMNAALDH1A1
SCHEMBL30136375 0.75 EPHX2 (0.68) NPC1RAB9AEPHX2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 — — US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 — — 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 NPC1 2621/4885RAB9A 1502/4885EPHX2 3159/4885

“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.

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