SCHEMBL4459880

SCHEMBL4459880

Clc1cccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
ROCK2 O75116 1/20 0.43
GRK2 P25098 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
DHODH Q02127 1/20 0.41
DHFR P00374 1/20 0.40
XDH P47989 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TTBK1 Q5TCY1 2/20 0.39
CHEK2 O96017 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
PPARG P37231 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 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
SCHEMBL4686964 0.89 MCL1 (0.46) RAB9ASMN1; SMN2MEN1KMT2AMCL1
SCHEMBL4464283 0.86 HTT (0.45) RAB9ASMN1; SMN2MCL1XDHCYP1A2
SCHEMBL4460374 0.86 MCL1 (0.45) RAB9ASMN1; SMN2KMT2AMCL1XDH
SCHEMBL4680896 0.86 MAOB (0.49) RAB9AMEN1KMT2AMCL1XDH
SCHEMBL4469357 0.86 MCL1 (0.42) RAB9ASMN1; SMN2MEN1KMT2AMCL1
SCHEMBL4460356 0.86 LOXL2 (0.42) RAB9AMCL1DHODHXDHPPARG
Hydrochloric Acid SCHEMBL4459819 0.85 MAOB (0.48) RAB9AMEN1KMT2AMCL1XDH
SCHEMBL4457393 0.84 CHEK2 (0.45) SMN1; SMN2MEN1KMT2AMCL1XDH
SCHEMBL4684163 0.84 LTA4H (0.47) MCL1XDH
SCHEMBL4460360 0.84 LTA4H (0.47) RAB9ASMN1; SMN2MEN1KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534805-B2 Imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-19 US claimed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP claimed
US-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-22 US claimed
CN-1795179-A Novel imidazole derivatives, the production thereof, and the use of the same as a medicament SOD CONSEILS RECH APPLIC (FR) 2006-06-28 CN claimed
US-7534805-B2 Imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-19 US disclosed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
US-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-22 US disclosed
CN-1795179-A Novel imidazole derivatives, the production thereof, and the use of the same as a medicament SOD CONSEILS RECH APPLIC (FR) 2006-06-28 CN disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 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-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments MIF, MCL1, PPIP5K2 RAB9A 2552/4885ROCK2 2231/4885GRK2 1541/4885

“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.