SCHEMBL3580871

SCHEMBL3580871

FC(F)(F)C(F)(F)c1ccc(CNCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
KCNH2 Q12809 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
BCHE P06276 1/20 0.49
CHRM2 P08172 1/20 0.49
CNR1 P21554 1/20 0.47
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MCHR1 Q99705 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3577492 0.88 CA1 (0.52) CA1CA2CA12CA4CA9
SCHEMBL3230814 0.86 L3MBTL1 (0.61) CA1CA2CA12CA4CHRM2
SCHEMBL3578412 0.84 CA1 (0.52) CA1CA2CA12CA4CA9
SCHEMBL3244925 0.81 CA1 (0.62) CA1CA2CA12CA4CA9
SCHEMBL22731838 0.77 HRH4 (0.44) CA1CA2CHRM2SMN1; SMN2CYP1A2
SCHEMBL3580868 0.77 NPC1 (0.68) CNR1GAASMN1; SMN2MCHR1CYP1A2
SCHEMBL3574201 0.77 KDM4E (0.55) CNR1GAACYP1A2CYP2D6CYP2C19
SCHEMBL22495461 0.76 BCHE (0.74) CA1CA2CA12CA4CA9
SCHEMBL8127992 0.76 BCHE (0.74) CA1CA2CA12CA4CA9
SCHEMBL3957000 0.74 KCNH2 (0.62) KCNH2TMEM97CHRM2CNR1GAA

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-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC CA1 1280/4885CA2 411/4885CA12 964/4885

“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.