SCHEMBL632773

SCHEMBL632773

FC(F)(F)COc1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
LMNA P02545 3/20 0.37
PAX8 Q06710 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
CACNA1B Q00975 3/20 0.35
MAPT P10636 5/20 0.35
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CACNA1H O95180 1/20 0.34
ERBB2 P04626 1/20 0.34
SCN5A Q14524 1/20 0.33
NR3C1 P04150 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL632373 0.84 HTT (0.48) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL631815 0.80 MAPT (0.49) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL632601 0.77 LMNA (0.44) KMT2ALMNAMAPTSMN1; SMN2ERBB2
SCHEMBL631725 0.74 AGER (0.42) KMT2AMEN1LMNAMAPTHTT
SCHEMBL632032 0.74 MAPT (0.44) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL14189461 0.74 TAAR1 (0.56)
SCHEMBL631554 0.74 MAOA (0.55) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL632512 0.74 SMN1; SMN2 (0.42) LMNAMAPTSMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL631888 0.72 MAOA (0.53) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL631856 0.72 MAOA (0.49) MAPTHTTL3MBTL1GAAALDH1A1

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-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP 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 KMT2A 282/4885MEN1 941/4885LMNA 3570/4885

“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.