SCHEMBL632601

SCHEMBL632601

Fc1ccc(NCc2c[nH]cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH3 Q9ULD8 4/20 0.39
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38

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
SCHEMBL632032 0.83 MAPT (0.44) LMNARAB9ANPC1ALDH1A1TP53
SCHEMBL631725 0.83 AGER (0.42) LMNARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL632249 0.83 CLK1 (0.34) RAB9ANPC1ALDH1A1SMN1; SMN2NTRK1
SCHEMBL631554 0.82 MAOA (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL633499 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL631888 0.81 MAOA (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1925525 0.80 KCNH3 (0.62) KCNH3
SCHEMBL631856 0.80 MAOA (0.49) ALDH1A1L3MBTL1KCNH3MAPTALOX12
Hydrochloric Acid SCHEMBL5015545 0.79 KCNH3 (0.61) KCNH3
SCHEMBL631815 0.79 MAPT (0.49) LMNARAB9ANPC1ALDH1A1L3MBTL1

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 LMNA 3570/4885RAB9A 1976/4885NPC1 555/4885

“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.