Sugi Predict

Sugi Predict / Compounds / SCHEMBL4546533

SCHEMBL4546533

SCHEMBL4546533

Cc1ccc(C(=O)Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ CHRNA1 P02708 1/20 0.51
▸ CHRNG P07510 1/20 0.51
▸ CHRNB1 P11230 1/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ CHRND Q07001 1/20 0.51
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ AGTR1 P30556 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL2924706 0.84 HPGD (0.54) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL29619400 0.83 TSHR (0.65) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL697363 0.83 TSHR (0.65) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL703716 0.83 HPGD (0.53) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2972020 0.83 TAS1R3 (0.51) ALDH1A1MEN1KMT2ACYP3A4TSHR
SCHEMBL40769 0.82 SMN1; SMN2 (0.55) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL30475402 0.82 SMN1; SMN2 (0.55) HPGDNPC1RAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL14660193 0.81 TSHR (0.63) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL11674176 0.81 HPGD (0.51) HPGDCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL10778405 0.81 HPGD (0.51) HPGDCHRNA1CHRNGCHRNB1CHRNB2

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-5969200-A CHLORINATING PARA-TOLUOYL CHLORIDE IN PRESENCE OF CHLORINE GAS AND ALUMINUM CHLORIDE OR ANTIMONY CHLORIDE CATALYST, DISTILLING MIXTURE PRODUCED TO RECOVER 3,5-DICHLORO-4-METHYLBENZOYL CHLORIDE ROHM AND HAAS COMPANY (US) 1999-10-19 — — US claimed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 — — EP claimed
JP-7330663-A — — None — — JP disclosed
WO-2021094209-A1 SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 — — WO disclosed
CN-108218708-B Preparation method and application of 5-chloro-4-methyl-2-nitrobenzoic acid 利尔化学股份有限公司 2021-01-05 — — CN disclosed
WO-2019020828-A9 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-04-11 — — WO disclosed
WO-2019020828-A1 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2019-01-31 — — WO disclosed
US-20170281611-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES EIGER BIOPHARMACEUTICALS, INC. (US) 2017-10-05 — — US disclosed
WO-2016032569-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES CELLADON CORPORATION (US) 2016-03-03 — — WO disclosed
CN-103917515-A Isopropyl 3-chloro-4-methylbenzoate and method for producing same NIPPON LIGHT METAL CO 2014-07-09 — — CN disclosed
WO-2013015203-A1 ISOPROPYL 3-CHLORO-4-METHYLBENZOATE AND METHOD FOR PRODUCING SAME 日本軽金属株式会社 (JP) 2013-01-31 — — WO disclosed
US-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US disclosed
US-4113872-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS BAKER AKTIENGESELLSHAFT (DE) 1978-09-12 — — US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
US-4112109-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4099011-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 — — US disclosed
US-4096152-A DIURETICS, SALURETICS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-4069334-A DIURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 — — US disclosed
US-4002641-A DIURETICS, SALURETICS, HYPOTENSIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 — — US disclosed
US-3952012-A MULTISTAGE MCNEIL LABORATORIES, INCORPORATED (US) 1976-04-20 — — US 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-20170281611-A1 QUINOLINES AND THEIR USE FOR TREATING ENDOPLASMIC RETICULUM STRESS-CAUSED DISEASES ATP2A1, ATP2A3, ATP2A2 HPGD 905/4885CHRNA1 1795/4885CHRNG 2757/4885

“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.