SCHEMBL3230814

SCHEMBL3230814

Fc1ccc(CCNCc2ccc(C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
LMNA P02545 2/20 0.52
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 2/20 0.49
MCHR1 Q99705 1/20 0.48
MPO P05164 1/20 0.48
TAAR1 Q96RJ0 2/20 0.44
TRPV6 Q9H1D0 1/20 0.44

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
SCHEMBL3573068 0.87 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1CA1CA2
SCHEMBL3941164 0.87 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1CA1CA2
SCHEMBL3580871 0.86 CA1 (0.52) L3MBTL1KDM4ECA1CA2CA12
SCHEMBL3578412 0.86 CA1 (0.52) L3MBTL1KDM4EALDH1A1CA1CA2
SCHEMBL3273909 0.82 L3MBTL1 (0.68) L3MBTL1KDM4EALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL4026088 0.81 L3MBTL1 (0.66) L3MBTL1KDM4EALDH1A1CA1CA2
SCHEMBL22731838 0.78 HRH4 (0.44) L3MBTL1CA1CA2LTA4HLMNA
SCHEMBL3574201 0.78 KDM4E (0.55) KDM4ECYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL10399489 0.78 KDM4E (0.84) L3MBTL1KDM4EALDH1A1CA1CA2
SCHEMBL3240146 0.76 L3MBTL1 (0.69) L3MBTL1KDM4EALDH1A1CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 US disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 L3MBTL1 3123/4885KDM4E 1993/4885ALDH1A1 986/4885

“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.