SCHEMBL4518755

SCHEMBL4518755

COc1ccc(C(C)=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.67
▸ HPGDS O60760 1/20 0.65
▸ MAPT P10636 3/20 0.63
▸ CDC25B P30305 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ KMT2A Q03164 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CYP2C9 P11712 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ STAT6 P42226 1/20 0.58
▸ LMNA P02545 3/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ IDO1 P14902 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ CNR2 P34972 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL835587 0.89 MAPT (0.58) PLK1HPGDSMAPTCDC25BGAA
SCHEMBL7842295 0.85 PLK1 (0.67) PLK1HPGDSMAPTCDC25BGAA
SCHEMBL4469856 0.85 CDC25B (0.78) PLK1HPGDSMAPTCDC25BGAA
SCHEMBL38471077 0.83 KDM4E (0.55) PLK1MAPTGAAKMT2AHPGD
SCHEMBL10391045 0.83 KDM4E (0.55) PLK1MAPTGAAKMT2AHPGD
SCHEMBL24101354 0.83 PLK1 (0.70) PLK1HPGDSMAPTCDC25BGAA
SCHEMBL4028585 0.83 PLK1 (0.65) PLK1HPGDSMAPTCDC25BGAA
SCHEMBL535326 0.83 PLK1 (0.65) PLK1HPGDSMAPTCDC25BGAA
Hydrochloric Acid SCHEMBL11445757 0.83 CDC25B (0.76) PLK1HPGDSMAPTCDC25BGAA
SCHEMBL14124722 0.81 CDC25B (0.64) PLK1HPGDSMAPTCDC25BGAA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 — — US disclosed
US-10407390-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA 2019-09-10 — — US disclosed
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2018-02-15 — — US disclosed
US-9751836-B2 Asymmetric ureas and medical uses thereof HELSINN HEALTHCARE SA (CH) 2017-09-05 — — US disclosed
EP-2678017-B1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-04-05 — — EP disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 — — US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 — — US disclosed
CN-104098483-A Preparation method of 4-methoxyl-N,N-dimethyl-1-naphthylformamide INSIGHT HIGH TECHNOLOGY JIANGSU CO LTD 2014-10-15 — — CN disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 — — US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 — — US disclosed
US-5958934-A 5-HT 2B ANTAGONIST SYNTEX (U.S.A.) INC. (US) 1999-09-28 — — US disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 — — US disclosed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 — — EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 — — US disclosed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 — — WO disclosed
EP-0291172-B1 KETONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-19 — — EP disclosed
US-5084474-A Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole GLAXO GROUP LIMITED (GB) 1992-01-28 — — US disclosed
US-5019586-A 5-Hydroxytryptamine Receptor Antagonists GLAXO GROUP LIMITED 1991-05-28 — — US disclosed
US-4918080-A ANXIOLYTIC AGENTS, ANTIEMETICS GLAXO GROUP LIMITED (GB) 1990-04-17 — — US disclosed
EP-0291172-A1 Ketone derivatives GLAXO GROUP LIMITED (GB) 1988-11-17 — — EP 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-10407390-B2 Asymmetric ureas and medical uses thereof UTS2R, GPR119, GHSR PLK1 4723/4885HPGDS 615/4885MAPT 2569/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 PLK1 2215/4885HPGDS 2328/4885MAPT 2677/4885
US-20180044293-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR PLK1 4723/4885HPGDS 615/4885MAPT 2569/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY PLK1 4589/4885HPGDS 2254/4885MAPT 4056/4885

“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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