SCHEMBL631841

SCHEMBL631841

Nc1ccnc(Oc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.62
LOX P28300 1/20 0.60
MAOB P27338 1/20 0.52
ASIC3 Q9UHC3 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BCAT2 O15382 1/20 0.47
MAOA P21397 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
NUDT1 P36639 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GPR39 O43194 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NLRP3 Q96P20 1/20 0.43

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
SCHEMBL20931741 0.86 MEN1 (0.52) LOXL2LOXMAOBSMN1; SMN2NPC1
SCHEMBL7085737 0.82 LMNA (0.53) LOXL2LOXSMN1; SMN2MEN1KMT2A
SCHEMBL25167089 0.81 MEN1 (0.57) LOXL2LOXMAOBSMN1; SMN2RAB9A
SCHEMBL28053751 0.81 SCN9A (0.59) LOXL2LOXMAOBSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL27760678 0.81 ASIC3 (0.42) LOXL2LOXASIC3SMN1; SMN2MEN1
SCHEMBL8285845 0.81 LOXL2 (0.57) LOXL2LOXSMN1; SMN2NPC1RAB9A
SCHEMBL28350627 0.79 LOXL2 (0.56) LOXL2LOXMAOBSMN1; SMN2NPC1
SCHEMBL15055322 0.79 RAB9A (0.62) LOXL2LOXSMN1; SMN2NPC1RAB9A
SCHEMBL13452514 0.78 LOXL2 (0.47) LOXL2LOXSMN1; SMN2NPC1RAB9A
SCHEMBL7240848 0.78 MAOB (0.49) LOXL2LOXMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812056-B N-pyridine-4-yl benzamide Cdc37 inhibitor and derivative and application thereof 中国药科大学 2023-01-31 CN disclosed
CN-112812056-A N-pyridin-4-ylbenzamide Cdc37 inhibitors, derivatives thereof and uses thereof 中国药科大学 2021-05-18 CN disclosed
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
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 LOXL2 4234/4885LOX 2926/4885MAOB 124/4885

“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.