SCHEMBL8959784

SCHEMBL8959784

CCOC(=O)c1cc2cc(F)c(C(F)(F)F)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
HSD17B10 Q99714 1/20 0.56
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MMP13 P45452 8/20 0.51
MMP2 P08253 6/20 0.51

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
SCHEMBL4042958 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL8959587 0.86 KDM4E (0.67) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL17226840 0.86 KDM4E (0.56) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4041495 0.83 KDM4E (0.63) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL22620718 0.82 KDM4E (0.62) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL30995161 0.81 KDM4E (0.60) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL30995155 0.81 KDM4E (0.60) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL29641398 0.81 ALOX15 (0.63) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL3276358 0.81 ALOX15 (0.63) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL9228224 0.81 FGFR1 (0.36) ALDH1A1KDM4EHPGDRAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 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 (2 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 ALDH1A1 919/4885KDM4E 1500/4885HPGD 2535/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ALDH1A1 873/4885KDM4E 2063/4885HPGD 345/4885

“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.