SCHEMBL631859

SCHEMBL631859

FC(F)(F)c1cccc(CNc2cccc(Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
PLA2G1B P04054 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
P2RX7 Q99572 1/20 0.49
KCNN3 Q9UGI6 1/20 0.49

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
SCHEMBL5226860 0.86 FFAR1 (0.61) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL4242744 0.84 FFAR1 (0.66) MEN1KMT2AMAPTALDH1A1FFAR1
SCHEMBL632217 0.84 CHRM2 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6693899 0.83 P2RX1 (0.54) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5180466 0.83 FFAR1 (0.54) MEN1KMT2AMAPTFFAR1FFAR4
SCHEMBL27816900 0.82 TSHR (0.56) MEN1KMT2AMAPTFFAR1FFAR4
SCHEMBL11116251 0.81 MAPT (0.61) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5605032 0.81 MAPT (0.62) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10055021 0.80 NPSR1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4355530 0.80 FFAR1 (0.55) MEN1KMT2AMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
CN-101528710-B Aminomethyl-4-imidazoles HOFFMANN LA ROCHE 2012-11-07 CN disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
CN-101528710-A Aminomethyl-4-imidazoles HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MEN1 941/4885KMT2A 282/4885MAPT 36/4885

“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.