SCHEMBL9980153

SCHEMBL9980153

Cc1ccc2c(n1)Nc1ncc(C(C)C)cc1C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.38
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2706596 0.87 PSEN1 (0.37) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL2756587 0.85 PSEN1 (0.39) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL20055516 0.84 PSEN1 (0.34) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL13464853 0.84 MAPT (0.44) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL13070646 0.77 MAPT (0.40) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL2707211 0.72 PSEN1 (0.41) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL10391241 0.71 ROS1 (0.59) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL2707978 0.70 HPGD (0.37) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL13070648 0.70 CYP1A2 (0.44) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA
SCHEMBL17656232 0.69 MAPT (0.40) CYP1A2SMN1; SMN2NPC1ALDH1A1GAA

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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885SMN1; SMN2 1564/4885NPC1 516/4885

“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.