SCHEMBL565366

SCHEMBL565366

[O]CCNc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.54
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CTSD P07339 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 2/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL8871517 0.85 ALDH1A1 (0.73) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL8870551 0.83 ALDH1A1 (0.70) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL232188 0.83 MAPT (0.78) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL6416019 0.80 MAPT (0.74) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL1562142 0.80 MAPT (0.74) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL13552314 0.79 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL4970157 0.78 ALDH1A1 (0.89) ALDH1A1MAPTL3MBTL1HRH3TDP1
SCHEMBL7290585 0.78
SCHEMBL2065279 0.78 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CA12CA2
SCHEMBL4149063 0.77 RPS6KA2 (0.44) ALDH1A1MAPTL3MBTL1CA12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US claimed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 EP claimed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US claimed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP claimed
US-9889115-B2 Fitness assay and associated methods BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-13 US disclosed
EP-1088098-B2 FITNESS ASSAY AND METHODS FOR REDUCING RESISTANCE OF HIV TO THERAPY US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2015-07-01 EP disclosed
US-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2014-01-09 US disclosed
EP-2393777-B1 HYDRAZIDE COMPOUND AND USE OF THE SAME IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-12-25 EP disclosed
US-8597876-B2 Method of treating HIV infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-12-03 US disclosed
EP-2647285-A2 Pest control composition Sumitomo Chemical Company, Limited (JP) 2013-10-09 EP disclosed
US-8507514-B2 Hydrazide compound and use of the same in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-13 US disclosed
EP-2601835-A1 PEST CONTROL COMPOSITION Sumitomo Chemical Co., Ltd (JP) 2013-06-12 EP disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 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 (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-20140011815-A1 FITNESS ASSAY AND ASSOCIATED METHODS CPS1, CTSS, TST ALDH1A1 1735/4885MAPT 4854/4885L3MBTL1 403/4885

“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.