SCHEMBL8090460

SCHEMBL8090460

COc1ccc(-c2cccc(N)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.60
DYRK1A Q13627 2/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
PARP1 P09874 1/20 0.49
APP P05067 2/20 0.49
MPO P05164 1/20 0.48
CDK5 Q00535 1/20 0.48
ADORA1 P30542 1/20 0.48
SYK P43405 1/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL3628069 0.86 NPC1 (0.61) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5950603 0.84 NPC1 (0.59) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2033015 0.83 ASIC3 (0.43) ASIC3DYRK1ANPC1RAB9AALDH1A1
SCHEMBL27760768 0.81 RAB9A (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL29992900 0.81 RAB9A (0.64) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL28342829 0.79 ACHE (0.58) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL2614971 0.79 MAPK14 (0.60) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL18255986 0.79 NPC1 (0.54) DYRK1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20390781 0.79 ASIC3 (0.67) ASIC3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29651489 0.79 ASIC3 (0.67) ASIC3NPC1RAB9AALDH1A1SMN1; SMN2

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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 ASIC3 1659/4885DYRK1A 1498/4885NPC1 1438/4885

“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.