SCHEMBL632583

SCHEMBL632583

O=C1CCCN1c1cccc(NCc2c[nH]cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.43
PARP1 P09874 3/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.39
BRD4 O60885 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
SCHEMBL632066 0.81 HDAC4 (0.43) GAAMEN1KMT2AL3MBTL1TSHR
SCHEMBL8215904 0.78 FNTA (0.53) GAAMEN1KMT2AL3MBTL1NPC1
SCHEMBL3278560 0.77 GAA (0.57) GAAMEN1KMT2AL3MBTL1NPC1
SCHEMBL632495 0.76 ALDH1A1 (0.36) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL633536 0.76 TTBK1 (0.48) GAAL3MBTL1NPC1RAB9A
SCHEMBL632031 0.74 ALDH1A1 (0.40) GAAMEN1KMT2AL3MBTL1TSHR
SCHEMBL3230248 0.74 LMNA (0.57) GAAMEN1KMT2AL3MBTL1NPC1
SCHEMBL632379 0.71 IDO1 (0.44) GAANPC1RAB9AALDH1A1CYP3A4
SCHEMBL22797021 0.71 GAA (0.70) GAAMEN1KMT2AL3MBTL1NPC1
SCHEMBL12359881 0.70 HTR6 (0.36) MEN1KMT2AHPGDALDH1A1CYP1A2

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 GAA 418/4885MEN1 941/4885KMT2A 282/4885

“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.