SCHEMBL17536770

SCHEMBL17536770

CCOc1ccc(-c2cc[c]cc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
SRD5A2 P31213 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
CTSS P25774 1/20 0.36
AR P10275 1/20 0.35
FFAR1 O14842 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA2D1 P54289 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7955020 0.83 PGR (0.47) KDM4EMAPTAR
SCHEMBL28581591 0.80 NQO1 (0.45) NQO1FFAR4KDM4EKMT2AMAPT
SCHEMBL9799346 0.77 FFAR4 (0.49) NQO1FFAR4KDM4EKMT2AMAPT
SCHEMBL2433534 0.76 PDE3B (0.36) KDM4EKMT2AMAPTGAAAR
SCHEMBL3636363 0.76 KIF11 (0.41) TSHRARALDH1A1
SCHEMBL6513960 0.74 PDE3B (0.37) KDM4EKMT2AGAALMNAAR
SCHEMBL1230707 0.74 RXRA (0.40) KDM4EKMT2AL3MBTL1CTSSAR
SCHEMBL1979148 0.74 KIF11 (0.43) AR
SCHEMBL1369645 0.74 KIF11 (0.38) FFAR4KDM4EGAATSHRAR
SCHEMBL8072390 0.73 AKR1C3 (0.34) AR

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 NQO1 622/4885FFAR4 2021/4885SRD5A2 1130/4885

“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.