SCHEMBL632231

SCHEMBL632231

Fc1cc(Cl)cc(NCc2c[nH]cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM4 Q14833 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
EPAS1 Q99814 3/20 0.34
NOS2 P35228 1/20 0.34
BTK Q06187 4/20 0.33
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
IDH1 O75874 1/20 0.32
METAP2 P50579 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.30

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 0.89 CLK1 (0.34) ALDH1A1HPGDNTRK1NTRK3NTRK2
SCHEMBL632224 0.89 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL30136651 0.82 CLK1 (0.35)
SCHEMBL24757825 0.82 CLK1 (0.35)
SCHEMBL632276 0.78 SMN1; SMN2 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL30034533 0.78 KMT2A (0.48) ALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL631864 0.78 KDM4E (0.47) ALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL30933169 0.77 PGR (0.34) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL634320 0.77 CCNE1 (0.37) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL632032 0.76 MAPT (0.44) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
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 ALDH1A1 631/4885CYP1A2 212/4885CYP2C9 243/4885

“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.