SCHEMBL632512

SCHEMBL632512

FC(F)(F)c1cc(NCc2c[nH]cn2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
P2RX1 P51575 2/20 0.40
LMNA P02545 2/20 0.35
JUN P05412 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
KDR P35968 2/20 0.33
FLT1 P17948 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 1/20 0.33
GRM4 Q14833 1/20 0.33
MYC P01106 1/20 0.32
MAX P61244 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL632249 0.79 CLK1 (0.34) SMN1; SMN2CLK1DYRK1ANPC1RAB9A
SCHEMBL632224 0.76 ALDH1A1 (0.39) MAPT
SCHEMBL632773 0.74 KMT2A (0.37) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL24757825 0.73 CLK1 (0.35) CLK1DYRK1A
SCHEMBL30136651 0.73 CLK1 (0.35) CLK1DYRK1A
SCHEMBL632601 0.72 LMNA (0.44) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL14646374 0.72 SMN1; SMN2 (0.48) SMN1; SMN2P2RX1LMNAMAPTMYC
SCHEMBL6668574 0.72 NPC1 (0.61) MAPTGRM4NPC1RAB9A
SCHEMBL633499 0.72 MAPT (0.46) SMN1; SMN2MAPTGRM4
SCHEMBL632373 0.72 HTT (0.48) SMN1; SMN2KDRFLT1MAPTRAB9A

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 SMN1; SMN2 1921/4885P2RX1 1320/4885LMNA 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.