SCHEMBL4045461

SCHEMBL4045461

CCOC(=O)c1cc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MMP13 P45452 4/20 0.42
MMP2 P08253 3/20 0.42

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
SCHEMBL18299060 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3620452 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29813095 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28455744 0.86 ALOX15 (0.55) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3622667 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL23148079 0.85 NOTUM (0.46) CACNA1H
SCHEMBL8198301 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8200409 0.85 ALDH1A1 (0.53) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL10003164 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL700154 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 KDM4E 2045/4885ALDH1A1 1203/4885HPGD 1383/4885

“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.