SCHEMBL1942998

SCHEMBL1942998

O=C(O)N(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.41
KMO O15229 2/20 0.40
NOTUM Q6P988 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CLCN2 P51788 1/20 0.37
PTGIR P43119 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL58712 0.88 GRM4 (0.46) POLQNOTUMNPSR1ALDH1A1HTT
SCHEMBL59388 0.81 GRM4 (0.45) POLQKMONOTUMNPSR1ALDH1A1
SCHEMBL2091976 0.80 NPSR1 (0.47) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL1973051 0.77 RORC (0.39) POLQNPSR1ALDH1A1HTTKMT2A
SCHEMBL28217604 0.77 GRM4 (0.44) POLQNPSR1ALDH1A1HTTKMT2A
SCHEMBL28655154 0.76 CES2 (0.39) POLQALDH1A1HTTKMT2AKDR
SCHEMBL10707713 0.76 POLQ (0.39) POLQKMONOTUMCLCN2MRGPRX4
SCHEMBL1942322 0.75 TAS2R14 (0.49)
SCHEMBL2095451 0.75 NPSR1 (0.48) NPSR1ALDH1A1NPC1POLBHTT
SCHEMBL2097683 0.75 NPSR1 (0.48) POLQNPSR1ALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 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 (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-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 POLQ 1987/4885KMO 1324/4885NOTUM 4639/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 POLQ 1952/4885KMO 1502/4885NOTUM 4630/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 POLQ 1760/4885KMO 1346/4885NOTUM 4623/4885

“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.