SCHEMBL632689

SCHEMBL632689

Clc1cccc(NCc2ccccc2Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
MAPT P10636 5/20 0.56
MAOB P27338 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
PLA2G1B P04054 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.49

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
SCHEMBL6698052 0.91 MAPT (0.53) KCNJ5KCNJ3MAPTMAOBCYP1A2
SCHEMBL6692716 0.89 KCNJ5 (0.50) KCNJ5KCNJ3MAPTMAOBCYP1A2
SCHEMBL11512742 0.88 KCNJ5 (0.51) KCNJ5KCNJ3MAPTMAOBCYP1A2
SCHEMBL11512272 0.86 MAPT (0.56) KCNJ5KCNJ3MAPTMAOBCYP1A2
SCHEMBL11511984 0.86 MAOB (0.50) KCNJ5KCNJ3MAPTMAOBCYP1A2
SCHEMBL11510231 0.83 GAA (0.53) KCNJ5KCNJ3MAPTMAOBPLA2G1B
SCHEMBL27597916 0.83 MAPT (0.67) KCNJ5KCNJ3MAPTMAOBCYP1A2
SCHEMBL7988500 0.83 RAB9A (0.65) MAPTMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL6690806 0.81 RAB9A (0.67) MAPTMAOBCYP1A2CYP2C9CYP2C19
SCHEMBL11225084 0.80 KCNJ5 (0.51) KCNJ5KCNJ3MAPTMAOBALDH1A1

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
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
CN-101528710-A Aminomethyl-4-imidazoles HOFFMANN LA ROCHE (CH) 2009-09-09 CN 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
US-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 US 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 KCNJ5 1309/4885KCNJ3 909/4885MAPT 36/4885

“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.