SCHEMBL9986321

SCHEMBL9986321

O=C(Nc1ccc(F)cc1F)c1cnn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PLA2G7 Q13093 1/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 1/20 0.46
MLLT1 Q03111 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL7981043 0.77 NPC1 (0.52) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30739586 0.75 HDAC1 (0.75) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL29438444 0.72 GAA (0.51) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30369924 0.72 HDAC1 (0.77) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6588596 0.72 HDAC1 (0.77) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4250340 0.71 ALOX15 (0.61) GAANPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL29693057 0.71 HDAC1 (0.74) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27193044 0.70 RAB9A (0.77) GAANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7672965 0.70 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL19392337 0.70 NPC1 (0.71) GAANPC1RAB9ASMN1; SMN2MAPT

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-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 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-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 GAA 2676/4885NPC1 4167/4885RAB9A 2148/4885

“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.