Sugi Predict

Sugi Predict / Compounds / SCHEMBL3581453

SCHEMBL3581453

SCHEMBL3581453

Cc1cc(Cl)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ MAPK1 P28482 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ HBB P68871 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ ADORA2A P29274 4/20 0.54
▸ P2RY4 P51582 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 3/20 0.46

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
SCHEMBL11156262 0.85 CYP1A1 (0.74) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL14608606 0.84 CYP1A1 (0.72) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL582033 0.84 CYP1A1 (0.72) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10604107 0.84 CYP1A1 (0.72) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10813018 0.82 CYP1A1 (0.70) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL27749669 0.82 CYP1A1 (0.70) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL8942893 0.82 CYP1A1 (0.70) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL726339 0.79 CYP1A1 (0.66) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL9619249 0.79 CYP1A1 (0.66) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11150647 0.79 CYP1A1 (0.66) CYP1A1CYP1A2MAPK1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107744795-A A kind of hydrogenation-dechlorination catalyst converter 徐州工程学院 2018-03-02 — — CN claimed
CN-105819225-B A kind of preparation method for manganese slag lightweight ceramic tile automatic charging device and its critical component 徐州工程学院 2017-12-26 — — CN claimed
CN-105819225-A Automatic feeding device for light manganese slag ceramic tiles and manufacturing method of key parts of automatic feeding device 徐州工程学院 2016-08-03 — — CN claimed
EP-0525073-B1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA DU PONT (US) 1994-05-25 — — EP claimed
EP-0525073-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA. DU PONT (US) 1993-02-03 — — EP claimed
WO-1991015954-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 — — WO claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 — — US claimed
CN-107744795-A A kind of hydrogenation-dechlorination catalyst converter 徐州工程学院 2018-03-02 — — CN disclosed
CN-105819225-B A kind of preparation method for manganese slag lightweight ceramic tile automatic charging device and its critical component 徐州工程学院 2017-12-26 — — CN disclosed
CN-105819225-A Automatic feeding device for light manganese slag ceramic tiles and manufacturing method of key parts of automatic feeding device 徐州工程学院 2016-08-03 — — CN disclosed
CN-101379144-B Dye and hair dyeing composition DYSTAR TEXTILFARBEN GMBH & CO 2012-08-22 — — CN disclosed
US-7776106-B2 Dyestuffs and hair dye compositions DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2010-08-17 — — US disclosed
US-20090217466-A1 DYESTUFFS AND HAIR DYE COMPOSITIONS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-09-03 — — US disclosed
EP-0023617-A1 Anthraquinone-azo compounds, process for their preparation and their use as pigments BAYER AG (DE) 1981-02-11 — — EP disclosed
EP-0023666-A1 Anthraquinone-azomethine compounds, process for their preparation as well as a process for pigmenting organic macromolecular materials BAYER AG (DE) 1981-02-11 — — EP disclosed
EP-0023648-A1 Anthraquinone-azomethine compounds, process for their preparation; process for dyeing synthetic fibre materials as well as for pigmenting organic macromolecular materials BAYER AG (DE) 1981-02-11 — — EP disclosed
US-4246401-A Axomethine pigments BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 — — US disclosed
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 — — US disclosed
EP-0008627-A2 Quinazoline derivatives, azo dyes derived from the quinazolines and their use as pigments BAYER AG (DE) 1980-03-19 — — EP disclosed
EP-0008063-A1 Azomethine derivatives of anthraquinones, methods for their preparation, their use in the pigmentation of organic macromolecular compounds and the materials thus obtained BAYER AG (DE) 1980-02-20 — — 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-20090217466-A1 DYESTUFFS AND HAIR DYE COMPOSITIONS TYR, CDY1; CDY1B, RDX CYP1A1 21/4885CYP1A2 65/4885MAPK1 2946/4885

“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.