SCHEMBL632217

SCHEMBL632217

Clc1cccc(CNc2cccc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.55
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
EGFR P00533 1/20 0.51
CDK1 P06493 1/20 0.51
SRC P12931 1/20 0.51
MAOB P27338 2/20 0.50
HTR6 P50406 1/20 0.50
PNMT P11086 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 2/20 0.49
PLA2G1B P04054 1/20 0.49
HPGD P15428 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
ROCK2 O75116 1/20 0.48
GRK2 P25098 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6700054 0.96 CHRM2 (0.55) CHRM2GAAKDM4EALDH1A1EGFR
SCHEMBL1196472 0.90 MAOB (0.56) CHRM2KDM4EMAOBLMNAPLA2G1B
SCHEMBL631634 0.90 LMNA (0.59) GAAKDM4EALDH1A1EGFRCDK1
SCHEMBL11510373 0.90 GAA (0.51) CHRM2GAAKDM4EALDH1A1EGFR
Hydrochloric Acid SCHEMBL7102271 0.89 LMNA (0.58) GAAKDM4EALDH1A1EGFRCDK1
SCHEMBL11510712 0.86 HDAC4 (0.54) CHRM2MAOBPNMTHDAC3HDAC1
SCHEMBL632349 0.86 EGFR (0.59) GAAKDM4EALDH1A1EGFRMAOB
SCHEMBL11511594 0.85 FFAR1 (0.50) GAAKDM4EALDH1A1EGFRATM
SCHEMBL6691456 0.84 MEN1 (0.49) CHRM2KDM4EALDH1A1EGFRCDK1
SCHEMBL631899 0.84 MAPT (0.71) CHRM2GAAKDM4EALDH1A1EGFR

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 CHRM2 628/4885GAA 418/4885KDM4E 69/4885

“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.