SCHEMBL687000

SCHEMBL687000

O=S(=O)(O)c1cc2cccnc2c2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 2/20 0.59
▸ HIF1A Q16665 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ CCR1 P32246 3/20 0.53
▸ CCR8 P51685 3/20 0.53
▸ MAPT P10636 3/20 0.50
▸ PTPN11 Q06124 2/20 0.49
▸ PTPRC P08575 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ PTPRJ Q12913 1/20 0.49
▸ DUSP26 Q9BV47 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ LMNA P02545 2/20 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
SCHEMBL17146630 0.84 HIF1A (0.47) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL16361000 0.82 COMT (0.58) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL17146631 0.82 COMT (0.48) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL4461500 0.80 COMT (0.64) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL23246436 0.80 KDM4E (0.52) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL14601667 0.79 COMT (0.77) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL9818532 0.78 HSP90AA1 (0.66) COMTHIF1ACYP1A2HPGDALDH1A1
Lithium SCHEMBL4624679 0.77 COMT (0.75) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL4624672 0.77 COMT (0.75) COMTHIF1ACYP1A2HPGDALDH1A1
SCHEMBL27346002 0.77 KDM4E (0.53) COMTHIF1ACYP1A2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4777261-A Preparation of 2-benzoxazolones SHELL OIL COMPANY (US) 1988-10-11 — — US claimed
CN-109557764-B Chemically amplified positive photosensitive resin composition, resist pattern, method for forming the same, and electronic device 奇美实业股份有限公司 2023-09-12 — — CN disclosed
US-10203333-B2 Electronically neutral metal complexes as biological labels RUBIPY SCIENTIFIC, INC. (CA) 2019-02-12 — — US disclosed
CN-106933034-A Positive light anti-etching agent composition 东京应化工业株式会社 2017-07-07 — — CN disclosed
US-9389509-B2 Photosensitive polysiloxane composition, protecting film and element having the protecting film CHI MEI CORPORATION (TW) 2016-07-12 — — US disclosed
US-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels HUNAN SANSURE ACCUCISE BIOTECHNOLOGY CO., LTD. (CN) 2016-05-26 — — US disclosed
US-20150346601-A1 PHOTOSENSITIVE POLYSILOXANE COMPOSITION, PROTECTIVE FILM AND ELEMENT HAVING THE PROTECTIVE FILM CHI MEI CORPORATION (TW) 2015-12-03 — — US disclosed
US-20150234275-A1 PHOTOSENSITIVE POLYSILOXANE COMPOSITION, PROTECTING FILM AND ELEMENT HAVING THE PROTECTING FILM CHI MEI CORPORATION (TW) 2015-08-20 — — US disclosed
CN-104849962-A Photosensitive polysiloxane composition, protective film and element with protective film CHI MEI CORP 2015-08-19 — — CN disclosed
US-8999430-B2 Method of manufacturing display element KONICA MINOLTA HOLDINGS, INC. (JP) 2015-04-07 — — US disclosed
EP-0254343-A1 Catalyst compositions and process for preparing olefin/CO copolymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-01-27 — — EP disclosed
EP-0245893-A2 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-11-19 — — EP disclosed
US-4692548-A DIMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUNDS SHELL OIL COMPANY (US) 1987-09-08 — — US disclosed
EP-0231045-A2 A process for the preparation of carbamates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-08-05 — — EP disclosed
EP-0229408-A1 Novel catalyst compositions and process for the copolymerization of ethene with carbon monoxide SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-22 — — EP disclosed
CN-86107886-A The copolymerization process of novel catalyst composition and ethene and carbon monoxide — 1987-06-17 — — CN disclosed
EP-0224292-A1 Process for the preparation of organic isocyanates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-06-03 — — EP disclosed
US-4634793-A PALLADIUM CATALYST SYSTEM SHELL OIL COMPANY (US) 1987-01-06 — — US disclosed
EP-0206367-A2 Process for the dimerization of ethylenically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-12-30 — — EP disclosed
EP-0170311-A2 Process for the dimerization of olefins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-02-05 — — 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 (2 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-10203333-B2 Electronically neutral metal complexes as biological labels MB, MCU, LETM1 COMT 1964/4885HIF1A 2760/4885CYP1A2 3522/4885
US-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels MB, MCU, LETM1 COMT 1964/4885HIF1A 2760/4885CYP1A2 3522/4885

“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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