SCHEMBL336521

SCHEMBL336521

CCN(CC)c1ccc(C(=O)NC(c2cccc(C)c2)C(O)C(=O)Nc2ccc3nc(N)sc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KIT P10721 1/20 0.43
▸ EPHX2 P34913 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LCK P06239 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL335151 0.92 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL335678 0.90 MAPT (0.46) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL336153 0.88 EPHX2 (0.47) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL334997 0.88 KIT (0.46) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL335345 0.87 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL335375 0.86 KIT (0.45) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL335968 0.85 MAPT (0.41) RAB9AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL335837 0.85 EPHX2 (0.45) NPC1RAB9AMAPTSMN1; SMN2KIT
SCHEMBL335731 0.82 F9 (0.47) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL335590 0.80 NPC1 (0.50) NPC1RAB9AMAPTSMN1; SMN2KIT

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
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 — — EP claimed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 — — US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 — — US claimed

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 1502/4885MAPT 3998/4885

“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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