SCHEMBL3626495

SCHEMBL3626495

O=C(O)c1ccc2ccc(Cc3ccccc3)cn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.46
▸ PTPN1 P18031 4/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ PLA2G2A P14555 2/20 0.40
▸ PLA2G10 O15496 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MPO P05164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ DNMT3B Q9UBC3 1/20 0.37
▸ DNMT3L Q9UJW3 1/20 0.37
▸ DNMT3A Q9Y6K1 1/20 0.37
▸ SRD5A2 P31213 1/20 0.36
▸ CALM1 P0DP23 1/20 0.36

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
SCHEMBL3618422 0.77 METTL3 (0.39) TSHRKLKB1
SCHEMBL10362959 0.74 CA12 (0.42) PTPN1TSHR
SCHEMBL1290242 0.74 KDM4E (0.43) —
SCHEMBL21815606 0.72 KDM4E (0.38) LMNATSHR
SCHEMBL10362996 0.72 ALDH1A1 (0.42) —
SCHEMBL4992892 0.70 BRD4 (0.68) LMNA
SCHEMBL4521510 0.70 HNF4A (0.73) HNF4APTPN1PTPN2PTPN6LMNA
SCHEMBL10361725 0.69 ALDH1A1 (0.47) TSHR
SCHEMBL11842358 0.69 IDH1 (0.42) HNF4APTPN1PTPN2PTPN6LMNA
SCHEMBL846106 0.69 RNASEH1 (0.49) HNF4APTPN1PTPN2PTPN6FEN1

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 HNF4A 1595/4885PTPN1 1193/4885PTPN2 1519/4885

“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.

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