SCHEMBL1787961

SCHEMBL1787961

O=Cc1ccc(C(=O)C(F)(F)F)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 1/20 0.39
CES1 P23141 1/20 0.36
MLYCD O95822 7/20 0.36
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL645360 0.75 KDM4E (0.41) SMN1; SMN2HIF1AEPAS1ALDH1A1MAPT
SCHEMBL28707787 0.72 NPC1 (0.46) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL28701953 0.72 NPC1 (0.50) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL1004764 0.69 GAA (0.53) CYP1A2RAB9AMAPK1HIF1AEPAS1
SCHEMBL1309456 0.68
SCHEMBL21940258 0.67 HIF1A (0.35) CYP1A2SMN1; SMN2HIF1AEPAS1ALDH1A1
SCHEMBL24493014 0.66 HIF1A (0.31) HIF1AEPAS1
SCHEMBL359688 0.66 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7235139 0.65 ALDH1A1 (0.56) CES1MLYCDALDH1A1TRPV1
SCHEMBL9466564 0.63 KCNA4 (0.35) HIF1AEPAS1ALDH1A1

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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 NPC1 265/4885CYP1A2 3248/4885CYP2C19 3589/4885

“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.