SCHEMBL837381

SCHEMBL837381

N=C(Cc1cc(F)ccc1Cl)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
ANO1 Q5XXA6 1/20 0.38
HTR2A P28223 6/20 0.36
SLC6A4 P31645 6/20 0.36
KCNH2 Q12809 6/20 0.36
SGMS2 Q8NHU3 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL641776 0.86 P2RX7 (0.40) P2RX7ALDH1A1MAPTADAMTS4MMP2
SCHEMBL836280 0.82 MAPK8 (0.40) ANO1MAPTMMP2MEN1KMT2A
SCHEMBL838375 0.74 CYP3A4 (0.37) MEN1CYP3A4MAPK1KMT2A
SCHEMBL641851 0.74 PKM (0.50) ALDH1A1MAPTMEN1CYP3A4CYP2D6
SCHEMBL31306705 0.73 TSHR (0.50) P2RX7ANO1ALDH1A1MAPTKDM4E
SCHEMBL151879 0.73 TSHR (0.50) P2RX7ANO1ALDH1A1MAPTKDM4E
SCHEMBL16009828 0.73 P2RX7 (0.43) P2RX7ANO1HTR2ASLC6A4KCNH2
SCHEMBL24685984 0.72 P2RX7 (0.49) P2RX7ANO1HTR2ASLC6A4KCNH2
SCHEMBL835822 0.72 P2RX7 (0.38) P2RX7SGMS2ALDH1A1MAPTMEN1
SCHEMBL2644246 0.71 IDO1 (0.49) P2RX7HDAC8CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
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
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP 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 P2RX7 33/4885ANO1 2113/4885HTR2A 109/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH P2RX7 30/4885ANO1 2429/4885HTR2A 75/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 P2RX7 39/4885ANO1 2013/4885HTR2A 151/4885

“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.