SCHEMBL10193370

SCHEMBL10193370

COc1ccc(-n2cc(C#CN)c3ccc(N)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FGFR1 P11362 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.39
KDM1A O60341 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.37
ESRRA P11474 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL980952 0.86 MAPT (0.53) MAPTALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL10254740 0.81 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2GAAHSD17B10
SCHEMBL10095240 0.74 L3MBTL1 (0.53) L3MBTL1ESRRAESR2
SCHEMBL10193371 0.74 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2MAPK1TP53
SCHEMBL10095319 0.71 L3MBTL1 (0.50) L3MBTL1KDM1AESRRAESR2
SCHEMBL10095341 0.70 ESRRA (0.51) L3MBTL1ESRRAESR2
SCHEMBL10095343 0.70 KDM4E (0.52) ALDH1A1L3MBTL1ESRRAESR2
SCHEMBL10095338 0.70 MEN1 (0.49) L3MBTL1ESRRAESR2MEN1KMT2A
SCHEMBL13152691 0.69 KDM1A (0.44) MAPTALDH1A1SMN1; SMN2FGFR1L3MBTL1
SCHEMBL31413335 0.68 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GAAHSD17B10

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885ALDH1A1 591/4885SMN1; SMN2 4525/4885

“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.