SCHEMBL4333858

SCHEMBL4333858

O=C(NCc1ccccc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HCRTR1 O43613 1/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
PTGER4 P35408 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SLC22A2 O15244 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4460290 0.91 KMT2A (0.41) TP53KMT2AMEN1PTGER4LMNA
SCHEMBL4319973 0.91 KMT2A (0.43) TP53KMT2AMEN1HCRTR1SLC22A2
SCHEMBL14129883 0.90 NAMPT (0.52) TP53KMT2AMEN1MAPTALDH1A1
SCHEMBL4319289 0.90 P2RX7 (0.42) KMT2AMEN1HPGDMAPTALDH1A1
Hydrochloric Acid SCHEMBL4970969 0.89 NAMPT (0.51) TP53KMT2AMEN1MAPTALDH1A1
SCHEMBL14129910 0.89 HPGD (0.46) TP53KMT2AMEN1HPGDMAPT
Hydrochloric Acid SCHEMBL4327826 0.88 HPGD (0.46) TP53KMT2AMEN1HPGDMAPT
SCHEMBL14129892 0.88 P2RX7 (0.40) KMT2AHPGDMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL4319260 0.87 P2RX7 (0.39) KMT2AHPGDMAPTALDH1A1HTT
SCHEMBL4317997 0.87 SCD (0.47) TP53KMT2AMAPTLMNASLC22A2

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 TP53 1722/4885KMT2A 655/4885MEN1 3959/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT TP53 1722/4885KMT2A 655/4885MEN1 3959/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT TP53 1643/4885KMT2A 448/4885MEN1 3999/4885

“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.