SCHEMBL2053574

SCHEMBL2053574

O=c1c(I)cc(Cc2ccc(F)cc2F)cn1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MAPT P10636 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
FSCN1 Q16658 1/20 0.39
HPGD P15428 1/20 0.38
BRD4 O60885 1/20 0.38
PIM1 P11309 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL2052291 0.83 NPC1 (0.50) THRBMAPTPTGDR2FSCN1BRD4
SCHEMBL12643368 0.77 PTGDR2 (0.40) MAPTPTGDR2FSCN1HPGDBRD4
SCHEMBL2038326 0.77 PTGDR2 (0.40) MAPTPTGDR2FSCN1HPGDBRD4
SCHEMBL13585256 0.74 BRD4 (0.41) MAPTPTGDR2FSCN1BRD4L3MBTL1
SCHEMBL12643367 0.74 BRD4 (0.41) MAPTPTGDR2FSCN1BRD4L3MBTL1
SCHEMBL25692948 0.71 IDO1 (0.48) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2049892 0.66 DAO (0.40) MAPT
SCHEMBL3362041 0.66 ALOX5 (0.50) HPGDSMN1; SMN2KDM4E
SCHEMBL13584040 0.66 BRD4 (0.41) THRBMAPTPTGDR2HPGDBRD4
SCHEMBL2035315 0.66 BRD4 (0.41) THRBMAPTPTGDR2HPGDBRD4

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 THRB 3428/4885MAPT 585/4885PTGDR2 3647/4885

“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.