SCHEMBL4499437

SCHEMBL4499437

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.72
P2RX4 Q99571 3/20 0.72
P2RX7 Q99572 3/20 0.72
TMPRSS4 Q9NRS4 3/20 0.72
JAK2 O60674 2/20 0.67
JAK1 P23458 2/20 0.67
TYK2 P29597 2/20 0.67
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
APOBEC3A P31941 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61
AVPR2 P30518 2/20 0.60
GPR27 Q9NS67 2/20 0.60
GRIK1 P39086 1/20 0.60
MAPT P10636 3/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL12334655 0.87 RORC (0.71) P2RX1P2RX4P2RX7TMPRSS4JAK2
SCHEMBL25349155 0.87 TMPRSS4 (0.80) P2RX1P2RX4P2RX7TMPRSS4JAK2
SCHEMBL331631 0.84 TMPRSS4 (1.00) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL29617517 0.84 TMPRSS4 (1.00) P2RX1P2RX4P2RX7TMPRSS4MEN1
SCHEMBL24823602 0.83 P2RX1 (0.69) P2RX1P2RX4P2RX7TMPRSS4JAK2
SCHEMBL4511425 0.82 P2RX1 (0.53) P2RX1P2RX4P2RX7TMPRSS4JAK2
SCHEMBL5369677 0.82 RORC (0.76) P2RX1P2RX4P2RX7TMPRSS4JAK2
SCHEMBL14228391 0.81 JAK2 (0.69) P2RX1JAK2JAK1TYK2MEN1
SCHEMBL14113143 0.80 TMPRSS4 (0.69) P2RX1P2RX4P2RX7TMPRSS4JAK2
SCHEMBL1466665 0.80 KCNK2 (0.58) P2RX1P2RX4P2RX7TMPRSS4JAK2

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-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
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
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 (3 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 P2RX1 140/4885P2RX4 207/4885P2RX7 198/4885
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity CNR1, CNR2, CHRM1 P2RX1 188/4885P2RX4 262/4885P2RX7 254/4885
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity CNR1, CNR2, HRH4 P2RX1 186/4885P2RX4 267/4885P2RX7 255/4885

“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.