SCHEMBL3615829

SCHEMBL3615829

O=C(Cc1ccccc1)NCc1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HSD17B2 P37059 2/20 0.41
CFD P00746 6/20 0.40
SRC P12931 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX7 Q99572 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
METTL3 Q86U44 1/20 0.38
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37

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
SCHEMBL3615797 0.91 CFD (0.41) CFDP2RX7METTL3
SCHEMBL3628891 0.90 CFD (0.42) CFDP2RX7METTL3
SCHEMBL3626664 0.90 CFD (0.40) HTTCFDALDH1A1P2RX7METTL3
SCHEMBL3624957 0.89 CFD (0.39) CFDP2RX7METTL3
SCHEMBL3620357 0.89 CFD (0.43) HTTCFDP2RX7METTL3RXFP1
SCHEMBL3615774 0.89 MAPT (0.42) MEN1KMT2ALMNACFDALDH1A1
SCHEMBL3627435 0.88 CFD (0.42) CFDP2RX7METTL3
SCHEMBL3625187 0.88 KMT2A (0.42) MEN1KMT2ALMNAHTTCFD
SCHEMBL3623481 0.88 METTL3 (0.41) CFDP2RX7METTL3
SCHEMBL3627371 0.88 CFD (0.41) MEN1KMT2ACFDP2RX7METTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US claimed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 US claimed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 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 (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-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 MEN1 4589/4885KMT2A 456/4885LMNA 1741/4885

“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.