SCHEMBL632373

SCHEMBL632373

FC(F)(F)Oc1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
POLB P06746 1/20 0.41
ABL1 P00519 4/20 0.40
BCR P11274 4/20 0.40
EPHX2 P34913 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL632773 0.84 KMT2A (0.37) HTTMAPTMEN1RAB9AKMT2A
SCHEMBL631815 0.81 MAPT (0.49) MAPTMEN1RAB9AKMT2AL3MBTL1
SCHEMBL632034 0.79 S100A9 (0.38) MAPT
SCHEMBL632601 0.79 LMNA (0.44) MAPTRAB9AKMT2ASMN1; SMN2ABL1
SCHEMBL11642379 0.75 MAOA (0.61) HTTMAPTMEN1RAB9AKMT2A
SCHEMBL631725 0.75 AGER (0.42) HTTMAPTMEN1RAB9AKMT2A
SCHEMBL632032 0.75 MAPT (0.44) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL631554 0.75 MAOA (0.55) MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL631888 0.73 MAOA (0.53) MAPTRAB9ASMN1; SMN2
SCHEMBL8934796 0.73 EPHX2 (0.46) MEN1RAB9AKMT2AEPHX2

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 HTT 780/4885MAPT 36/4885MEN1 941/4885

“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.