SCHEMBL7561990

SCHEMBL7561990

CC(CNC(=O)c1c[c]cc(N)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
BCL2 P10415 4/20 0.43
BCL2L1 Q07817 4/20 0.43
MCL1 Q07820 4/20 0.43
BCL2A1 Q16548 4/20 0.43
BAK1 Q16611 1/20 0.43
MAPK1 P28482 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
SCHEMBL7462647 0.88 TACR1 (0.52) NPC1RAB9AROCK2LMNASMN1; SMN2
SCHEMBL7182884 0.82 NPC1 (0.48) NPC1RAB9AMAPTTP53ROCK2
SCHEMBL6241847 0.82 HSD17B10 (0.53) RAB9ATP53LMNASMN1; SMN2
SCHEMBL6881357 0.80 ALDH1A1 (0.54) NPC1TP53ROCK2ROCK1LMNA
SCHEMBL2481230 0.79 NPC1 (0.67) NPC1RAB9AMAPTTP53LMNA
SCHEMBL5709362 0.79 NPC1 (0.67) NPC1RAB9AMAPTTP53LMNA
SCHEMBL6760861 0.78 HDAC3 (0.41) MAPTLMNA
SCHEMBL5847828 0.77 HDAC6 (0.53) RAB9ALMNASMN1; SMN2
SCHEMBL5846615 0.75 CTSD (0.45) MAPTLMNA
SCHEMBL7145325 0.74 NPC1 (0.67) NPC1RAB9ATP53LMNASMN1; 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-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-03-14 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-20020032174-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 NPC1 4227/4885RAB9A 4120/4885MAPT 4113/4885

“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.