SCHEMBL10064015

SCHEMBL10064015

COC(=O)c1ccc2ccc(C#N)c(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TNF P01375 2/20 0.41
GAA P10253 2/20 0.41
MCL1 Q07820 2/20 0.41
NOD1 Q9Y239 2/20 0.41
NOD2 Q9HC29 1/20 0.41
LCK P06239 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
IDH1 O75874 1/20 0.37
PARP1 P09874 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL618435 0.90 ALDH1A1 (0.40) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL617059 0.89 MEN1 (0.37) HPGDKMT2AMEN1ALDH1A1LCK
SCHEMBL614777 0.89 ALDH1A1 (0.42) MAPTHPGDKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10063654 0.88 CYP11B2 (0.40) HPGDGAALCKIDH1
SCHEMBL10064299 0.87 IDH1 (0.41) MAPTHPGDKMT2ALMNASMN1; SMN2
SCHEMBL10064208 0.85 HPGD (0.43) MAPTHPGDKMT2ALMNASMN1; SMN2
SCHEMBL10064017 0.85 SLC22A12 (0.39) HPGDALDH1A1HTR5A
SCHEMBL10030417 0.84 PARP1 (0.40) MAPTHPGDKMT2ALMNASMN1; SMN2
SCHEMBL10063842 0.83 NPC1 (0.44) MAPTKMT2ALMNASMN1; SMN2HTT
SCHEMBL16509452 0.83 MAPT (0.38) MAPTHPGDKMT2ALMNASMN1; SMN2

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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) ASTELLAS PHARMA INC. (JP) 2012-02-16 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-20120041036-A1 SUBSTITUTED ACYLGUANIDINE DERIVATIVES (AS AMENDED) HTR5A, HTR2A, HTR1A MAPT 310/4885HPGD 510/4885KMT2A 2470/4885

“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.