SCHEMBL17536769

SCHEMBL17536769

CCOc1ccc(-c2[c]cccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
NQO1 P15559 1/20 0.41
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LTA4H P09960 1/20 0.38
NPC1 O15118 3/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSS P25774 1/20 0.36
MAOA P21397 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
SCHEMBL7955018 0.83 PGR (0.43) KDM4EKMT2ATP53NPC1RAB9A
SCHEMBL2433532 0.76 NR1H2 (0.35) KDM4EKMT2AALDH1A1MAPTAR
SCHEMBL3829054 0.76 KIF11 (0.45) ALDH1A1TSHRMAOB
SCHEMBL1369135 0.76 KIF11 (0.39) KDM4EHPGDALDH1A1LMNAATM
SCHEMBL5792702 0.75 NPC1 (0.46) KDM4EKMT2ANQO1TP53LTA4H
SCHEMBL8115470 0.74 KDM4E (0.38) KDM4EKMT2ANQO1HPGDL3MBTL1
SCHEMBL6513958 0.74 ACHE (0.35) KDM4EKMT2ANPC1HPGDRAB9A
SCHEMBL22636009 0.74 KIF11 (0.47) AR
SCHEMBL8072388 0.73 AR (0.33) AR
SCHEMBL9559546 0.73 NPC1 (0.47) KDM4ENQO1TP53LTA4HNPC1

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-9598410-B2 Substituted 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridines, their use as medicament, and pharmaceutical preparations comprising them SANOFI (FR) 2017-03-21 US disclosed
US-20160060259-A1 Substituted 4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridines, Their Use as Medicament, and Pharmaceutical Preparations Comprising Them SANOFI (FR) 2016-03-03 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-20160060259-A1 Substituted 4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridines, Their Use as Medicament, and Pharmaceutical Preparations Comprising Them KCNA1, KCNT1, CACNA1I KDM4E 864/4885KMT2A 1866/4885NQO1 622/4885

“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.