Sugi Predict

Sugi Predict / Compounds / SCHEMBL2229478

SCHEMBL2229478

SCHEMBL2229478

Cc1cccc(C(=O)Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ KDR P35968 1/20 0.41
▸ MYC P01106 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ PDE1A P54750 1/20 0.39
▸ PDE1B Q01064 1/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PLAU P00749 1/20 0.37

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
SCHEMBL31315009 1.00 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL4728428 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EALOX15NPC1KMT2A
SCHEMBL697650 0.81 BRPF1 (0.46) ALDH1A1HPGDKDM4EHSD17B10KDR
SCHEMBL9504 0.81 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10ALOX15
Hydrochloric Acid SCHEMBL18546273 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10ALOX15
Bicarbonate SCHEMBL20918173 0.79 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL1233221 0.79 PARP1 (0.49) ALDH1A1HPGDKDM4EHSD17B10KDR
SCHEMBL19409437 0.79 P2RX7 (0.50) ALDH1A1HPGDKDM4EHSD17B10KDR
SCHEMBL6420545 0.78 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10ALOX15NPC1
SCHEMBL93223 0.78 ESR1 (0.49) ALDH1A1HPGDKDM4EHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939964-B Benzo-heterocycle substituted phenanthridine quaternary ammonium salt derivative and preparation method and application thereof 山东大学 2022-10-14 — — CN disclosed
CN-112939964-A Benzo-heterocycle substituted phenanthridine quaternary ammonium salt derivative and preparation method and application thereof 山东大学 2021-06-11 — — CN disclosed
CN-108409678-B Process for producing tetrazolinone compound 住友化学株式会社 2021-04-27 — — CN disclosed
CN-106132939-B Process for producing tetrazolinone compound 住友化学株式会社 2018-11-13 — — CN disclosed
CN-108409678-A The manufacturing method of Terazololine-one compound 住友化学株式会社 2018-08-17 — — CN disclosed
US-9822085-B2 Method for producing tetrazolinone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-21 — — US disclosed
US-20170057935-A1 METHOD FOR PRODUCING TETRAZOLINONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-02 — — US disclosed
CN-106132939-A Process for producing tetrazolinone compound 住友化学株式会社 2016-11-16 — — CN disclosed
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 — — EP disclosed
CN-103917545-A BTK inhibitors MERCK SHARP & DOHME 2014-07-09 — — CN disclosed
US-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them MERCK PATENT GMBH (DE) 2006-03-16 — — US disclosed
CN-1708491-A N-benzodioxolyl, N-benzodioxanyl and N-benzodioxepinyl arylcarbonxamide derivatives, and pharmaceutical compositions comprising them MERCK PATENT GMBH (DE) 2005-12-14 — — CN disclosed
EP-1554263-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GmbH (DE) 2005-07-20 — — EP disclosed
WO-2004037806-A1 N-BENZODIOXOLYL, N-BENZODIOXANYL AND N-BENZODIOXEPINYL ARYLCARBONXAMIDE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2004-05-06 — — WO disclosed
CN-1031378-C Combating insect infestation in rice ROHM & HAAS (US) 1996-03-27 — — CN disclosed
CN-1030911-C Dibenzoylalkylcyanohydrazines ROHM & HAAS (US) 1996-02-07 — — CN disclosed
EP-0461809-B1 Dibenzoylalkylcyanohydrazines ROHM & HAAS (US) 1994-12-07 — — EP disclosed
CN-1057452-A Dibenzoyl alkyl-alkyl cyanides ROHM & HAAS (US) 1992-01-01 — — CN disclosed
EP-0461809-A1 Dibenzoylalkylcyanohydrazines ROHM AND HAAS COMPANY (US) 1991-12-18 — — EP disclosed
CN-1046835-A Go out and remove the method for rice insect pest ROHM & HAAS (US) 1990-11-14 — — CN 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-20060058372-A1 N-Benzodioxolyl, n-benzodioxanyl and n-benzodioxepinyl arylcarboxamide derivatives and pharmaceutical compositions comprising them TBXAS1, PCSK9, APOB ALDH1A1 1772/4885HPGD 536/4885KDM4E 1667/4885
US-20170057935-A1 METHOD FOR PRODUCING TETRAZOLINONE COMPOUND CYP2F1, F12, XDH ALDH1A1 775/4885HPGD 3184/4885KDM4E 2667/4885

“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.