SCHEMBL632066

SCHEMBL632066

c1cc(NCc2c[nH]cn2)cc(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.43
MEF2D Q14814 5/20 0.43
PRMT6 Q96LA8 1/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PLA2G1B P04054 1/20 0.40
HTT P42858 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KCNQ2 O43526 1/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL633536 0.89 TTBK1 (0.48) HDAC4MEF2DMAPTKDM4EGAA
SCHEMBL632495 0.82 ALDH1A1 (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL632583 0.81 GAA (0.50) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL632379 0.77 IDO1 (0.44) KDM4EALDH1A1GAAMAPK1
SCHEMBL631864 0.75 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL30034533 0.75 KMT2A (0.48) HDAC4MEF2DMAPTKDM4EALDH1A1
SCHEMBL10229144 0.74 ADRA1A (0.57)
SCHEMBL631554 0.74 MAOA (0.55) MAPTKDM4EALDH1A1
SCHEMBL13879813 0.74 HDAC4 (0.50) HDAC4MEF2DPRMT6MAPTKDM4E
SCHEMBL631848 0.74 PRKCI (0.41) HDAC4MEF2DGAA

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 HDAC4 45/4885MEF2D 1660/4885PRMT6 398/4885

“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.