SCHEMBL838375

SCHEMBL838375

N=C(Cc1ccc(Cl)c(Cl)c1Cl)NO

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MEP1A Q16819 1/20 0.30
MEP1B Q16820 1/20 0.30

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
SCHEMBL838228 0.82 PNMT (0.50) CYP3A4MEN1KMT2A
SCHEMBL2644246 0.77 IDO1 (0.49) CYP3A4MAPK1
SCHEMBL641851 0.76 PKM (0.50) CYP3A4MEN1KMT2A
SCHEMBL837381 0.74 P2RX7 (0.38) CYP3A4MAPK1MEN1KMT2A
SCHEMBL641776 0.74 P2RX7 (0.40) CYP3A4MAPK1MEN1KMT2A
SCHEMBL836980 0.71 IDO1 (0.47) KMT2A
SCHEMBL835822 0.71 P2RX7 (0.38) CYP3A4MEN1KMT2A
SCHEMBL15862863 0.71 DPP4 (0.50) KMT2A
SCHEMBL10391426 0.71 CYP1A2 (0.45) CYP3A4MEN1KMT2A
SCHEMBL837827 0.69 AKR1B1 (0.50) CYP3A4MAPK1MEN1KMT2A

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-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 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 (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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 CYP3A4 774/4885MAPK1 1748/4885MEN1 2432/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH CYP3A4 947/4885MAPK1 2278/4885MEN1 2894/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 CYP3A4 938/4885MAPK1 1678/4885MEN1 2661/4885

“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.