SCHEMBL4517016

SCHEMBL4517016

COc1ccc(NC(=N)c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
MAPT P10636 6/20 0.55
RAB9A P51151 2/20 0.55
GRIK1 P39086 1/20 0.53
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4215245 0.86 JAK2 (0.49) KCNH2MAPTRAB9AGRIK1MEN1
SCHEMBL14024175 0.83 NPC1 (0.47) KCNH2MAPTRAB9AFLT1FLT4
SCHEMBL11120915 0.82 KCNH2 (0.76) KCNH2MAPTRAB9AGRIK1FLT1
SCHEMBL28565515 0.82 RAB9A (0.59) MAPTRAB9AMEN1KMT2APOLB
SCHEMBL24238348 0.80 GRIK1 (0.50) KCNH2MAPTRAB9AGRIK1MEN1
SCHEMBL30961552 0.80 GRIK1 (0.50) KCNH2MAPTRAB9AGRIK1FLT1
SCHEMBL662013 0.80 GRIK1 (0.50) KCNH2MAPTRAB9AGRIK1FLT1
SCHEMBL30961556 0.80 GRIK1 (0.50) KCNH2MAPTRAB9AGRIK1MEN1
SCHEMBL28567907 0.80 NPC1 (0.51) MAPTRAB9AGRIK1FLT1FLT4
SCHEMBL3091794 0.78 SMN1; SMN2 (0.54) MAPTRAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729101-B2 1H-imidazole derivative having CB1, agonistic, CB1 partial agonistic or CB1 antagnistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2014-05-20 US disclosed
US-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. 2009-07-16 US disclosed
US-20080319019-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080319019-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-25 US disclosed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 EP disclosed
US-7109216-B2 1H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-09-19 US disclosed
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-03-10 US disclosed
CN-1556703-A With CB1Agonistic activity, CB1Partial agonist Activity or CB11H-imidazole derivatives with antagonistic activity ������ҩ�����޹�˾ 2004-12-22 CN disclosed
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-11-25 US disclosed
EP-1438296-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-07-21 EP disclosed
WO-2003027076-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-04-03 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 (4 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-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY CNR1, CNR2, CHRM1 KCNH2 543/4885MAPT 1701/4885RAB9A 1045/4885
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity CNR1, CNR2, CHRM1 KCNH2 759/4885MAPT 2098/4885RAB9A 858/4885
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity CNR1, CNR2, HRH4 KCNH2 483/4885MAPT 2306/4885RAB9A 728/4885
US-20080319019-A1 Therapeutic Agents SDHA, GPR119, ABAT KCNH2 2504/4885MAPT 1001/4885RAB9A 2904/4885

“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.