SCHEMBL10215552

SCHEMBL10215552

Nc1cc(-c2ccccc2)cc(C(F)(F)F)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.45
KIF11 P52732 3/20 0.42
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
LDHA P00338 2/20 0.41
BACE1 P56817 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL28674664 0.90 KIF11 (0.46) ACHEKIF11HSD17B10KDM4EMAPT
SCHEMBL20495197 0.83 KIF11 (0.44) ACHEKIF11KDM4EMAPTALDH1A1
SCHEMBL2313436 0.81 AR (0.49) GAABACE1
SCHEMBL12818710 0.79 ALDH1A1 (0.54) ACHEHSD17B10KDM4EMAPTMEN1
SCHEMBL31570062 0.78 KIF11 (0.57) ACHEKIF11HSD17B10KDM4EMAPT
SCHEMBL3789405 0.78 KIF11 (0.48) ACHEKIF11HSD17B10KDM4EMAPT
SCHEMBL3785824 0.78 KIF11 (0.57) ACHEKIF11HSD17B10KDM4EMAPT
SCHEMBL29720343 0.77 ACHE (0.42) ACHEKIF11HSD17B10KDM4EMAPT
SCHEMBL8993265 0.76 TSHR (0.42) ACHEKIF11KDM4EMAPTMEN1
SCHEMBL29266608 0.74 ACHE (0.40) ACHEKIF11HSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 US disclosed
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 WO 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 ACHE 4642/4885KIF11 3874/4885HSD17B10 1274/4885

“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.