SCHEMBL3852489

SCHEMBL3852489

Cc1c(-c2ccccc2)n(C)c2cccc(-c3ccc(OCC#N)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HK1 P19367 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PARP1 P09874 1/20 0.36
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ESR1 P03372 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL3854607 0.85 ESR1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1PTGDR2HPGD
SCHEMBL3852458 0.82 FABP4 (0.53) ALDH1A1SMN1; SMN2FABP4FABP5PTGDR2
SCHEMBL3855882 0.82 L3MBTL1 (0.47) ALDH1A1L3MBTL1PARP1
SCHEMBL3860742 0.79 FAAH (0.51) ALDH1A1SMN1; SMN2L3MBTL1PSEN1PSEN2
SCHEMBL3855325 0.78 GRIK2 (0.44) ALDH1A1HK1SMN1; SMN2HKDC1L3MBTL1
SCHEMBL3853196 0.78 RAB9A (0.35) SMN1; SMN2PARP1FABP4FABP5PTGDR2
SCHEMBL3852280 0.76 PARP1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1PARP1HPGD
SCHEMBL9782182 0.71 MAOB (0.46) ALDH1A1SMN1; SMN2HPGDHRH3MAOA
SCHEMBL3857040 0.68 PPARG (0.46) ALDH1A1HK1SMN1; SMN2HKDC1L3MBTL1
SCHEMBL3853145 0.68 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2L3MBTL1PTGDR2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT ALDH1A1 423/4885HK1 3017/4885SMN1; SMN2 4004/4885

“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.