SCHEMBL4320125

SCHEMBL4320125

O=C(NC(CCc1ccccc1)c1ccccc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.41
PTGER4 P35408 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR Q13258 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
DCAF1 Q9Y4B6 1/20 0.35
POLB P06746 1/20 0.35
PHGDH O43175 1/20 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
SCHEMBL4316214 0.92 PTGER4 (0.40) PTGER4PPARGALDH1A1SMN1; SMN2P2RX7
SCHEMBL4338321 0.89 PTGER4 (0.41) PTGER4ALDH1A1PTGDRP2RX7MAPK3
SCHEMBL4333858 0.83 TP53 (0.44) PTGER4ALDH1A1POLB
SCHEMBL4319289 0.82 P2RX7 (0.42) LIPGALDH1A1P2RX7MAPK3MAPK1
SCHEMBL14129892 0.79 P2RX7 (0.40) LIPGALDH1A1P2RX7MAPK3MAPK1
SCHEMBL4324482 0.78 P2RX7 (0.44) PTGER4ALDH1A1P2RX7MAPK3MAPK1
SCHEMBL4319220 0.78 PKM (0.43) ALDH1A1SMN1; SMN2P2RX7MAPK3MAPK1
Hydrochloric Acid SCHEMBL4319260 0.78 P2RX7 (0.39) LIPGALDH1A1P2RX7MAPK3MAPK1
SCHEMBL4319973 0.78 KMT2A (0.43)
SCHEMBL6409444 0.78 P2RX7 (0.49) ALDH1A1P2RX7MAPK3MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP claimed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US claimed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP claimed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT LIPG 2492/4885PTGER4 4155/4885NPSR1 3539/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT LIPG 2492/4885PTGER4 4155/4885NPSR1 3539/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT LIPG 3538/4885PTGER4 4197/4885NPSR1 2940/4885

“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.