SCHEMBL1191685

SCHEMBL1191685

O=c1c(Br)cc(Cc2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.45
ALDH1A1 P00352 1/20 0.45
BRD4 O60885 5/20 0.45
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK14 Q16539 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.40
ADRA1D P25100 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL15816469 0.83 ADRA1D (0.51) MAPK10ALDH1A1BRD4USP2KDM4E
SCHEMBL6235800 0.82 ADRA1D (0.48) MAPK10ALDH1A1BRD4USP2KDM4E
SCHEMBL29001267 0.81 MAPK10 (0.51) MAPK10ALDH1A1BRD4USP2KDM4E
SCHEMBL12876607 0.77 BRD4 (0.58) ALDH1A1BRD4SMN1; SMN2LMNA
SCHEMBL15815917 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK14MEN1KMT2A
SCHEMBL14309643 0.75 ALDH1A1 (0.37) MAPK10ALDH1A1BRD4USP2KDM4E
Ethane SCHEMBL13370815 0.74 ALDH1A1 (0.51) MAPK10ALDH1A1BRD4KDM4EMEN1
SCHEMBL16899407 0.73 MAPK14 (0.53) ALDH1A1BRD4KDM4EMAPK14SMN1; SMN2
SCHEMBL5812520 0.72 L3MBTL1 (0.52) MAPK14MEN1KMT2A
SCHEMBL15836993 0.72 ALDH1A1 (0.50) MAPK10ALDH1A1BRD4KDM4EMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888375-B2 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2011-02-15 US disclosed
US-7888375-B2 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2011-02-15 US disclosed
US-7888375-B2 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC (US) 2011-02-15 US disclosed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US disclosed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US disclosed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US disclosed
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 US disclosed
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 US disclosed
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 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 (2 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-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK MAPK10 1865/4885ALDH1A1 1645/4885BRD4 2605/4885
US-20080020010-A1 Pyridinone diketo acids: inhibitors of HIV replication DCK, PDXK, DTYMK MAPK10 1131/4885ALDH1A1 2008/4885BRD4 1557/4885

“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.