SCHEMBL2049892

SCHEMBL2049892

O=c1[nH]cc(Cc2ccc(F)cc2F)cc1I

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
GPR84 Q9NQS5 2/20 0.34
MAPT P10636 1/20 0.34
MPO P05164 1/20 0.34
NR3C2 P08235 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL16020931 0.78 IDO1 (0.42) DAOIDO1AGXTGPR84MPO
SCHEMBL2052369 0.77 DAO (0.40) DAOIDO1AGXTGPR84MAPT
SCHEMBL16016317 0.73 IDO1 (0.38) DAOIDO1AGXTGPR84MPO
SCHEMBL9440547 0.71 IDO1 (0.44) DAOIDO1AGXTMAPTMPO
SCHEMBL3298107 0.69 IDO1 (0.58) DAOIDO1AGXTGPR84MPO
SCHEMBL3362041 0.67 ALOX5 (0.50) IDO1AGXT
SCHEMBL2053574 0.66 THRB (0.41) MAPT
SCHEMBL6471736 0.66 MAPK14 (0.42) IDO1AGXT
SCHEMBL518007 0.65 IDO1 (0.54) DAOIDO1AGXT
SCHEMBL19532053 0.65 IDO1 (0.46) DAOIDO1AGXTMPONR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753526-B Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIV GEORGIA 2014-11-26 CN disclosed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP disclosed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP disclosed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US disclosed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US disclosed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US disclosed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US disclosed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US disclosed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US disclosed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 EP disclosed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO disclosed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 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 (1 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-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC DAO 290/4885PKM 792/4885IDO1 69/4885

“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.