SCHEMBL15935019

SCHEMBL15935019

COc1cc(-n2ccc(C)n2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 6/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
SLC34A1 Q06495 2/20 0.39
GLA P06280 1/20 0.38
CYP17A1 P05093 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL30630435 0.78 CYP2C19 (0.40) SMN1; SMN2RAB9ANPC1L3MBTL1CYP2C19
SCHEMBL20075460 0.77 MAPT (0.49) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL30630601 0.76 MAPT (0.43) SMN1; SMN2RAB9ANPC1MAPTCYP2C19
SCHEMBL22621614 0.75 MAPT (0.71) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL15935032 0.74 ELOVL1 (0.44) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL11983495 0.73 RAB9A (0.52) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL9521754 0.72 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL24920819 0.71 CYP2C19 (0.45) SMN1; SMN2RAB9ANPC1MAPTCYP2C19
SCHEMBL15935205 0.71 MAPT (0.45) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL15935163 0.71 MAPT (0.45) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1

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-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
WO-2014120346-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 SMN1; SMN2 2530/4885RAB9A 556/4885NPC1 1192/4885

“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.