SCHEMBL2736487

SCHEMBL2736487

[C-]#[N+]c1cc(C)c(C)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ GRIN2D O15399 3/20 0.37
▸ GRIN3B O60391 3/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2A Q12879 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ GRIN2C Q14957 3/20 0.37
▸ GRIN3A Q8TCU5 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE3B Q13370 5/20 0.32
▸ PDE3A Q14432 5/20 0.32
▸ ATAD2 Q6PL18 1/20 0.30
▸ DAO P14920 2/20 0.30
▸ DDO Q99489 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL12375855 0.73 BRD4 (0.37) KDM4EHPGDGAAALDH1A1MAPK1
SCHEMBL15478582 0.72 HSD17B10 (0.56) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL12946182 0.67 HSD17B10 (0.50) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL9846132 0.67 PDE3B (0.53) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL27271864 0.67 HSD17B10 (0.50) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL215086 0.65 HSD17B10 (0.48) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL216327 0.64 PDE3B (0.53) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL13850530 0.64 KDM4E (0.47) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL2736485 0.64 KDM4E (0.47) HSD17B10KDM4EHPGDGAAGRIN2D
SCHEMBL12167565 0.62 KDM4E (1.00) HSD17B10KDM4EHPGDGAAALDH1A1

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-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 — — US disclosed
US-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 — — US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 — — US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 — — US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 — — US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 — — US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 — — US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 — — 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 (4 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-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R HSD17B10 1907/4885KDM4E 1679/4885HPGD 1511/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B HSD17B10 1609/4885KDM4E 2670/4885HPGD 250/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 HSD17B10 3418/4885KDM4E 3245/4885HPGD 724/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP HSD17B10 59/4885KDM4E 3156/4885HPGD 306/4885

“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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