Sugi Predict

Sugi Predict / Compounds / SCHEMBL670210

SCHEMBL670210

SCHEMBL670210

Cc1ccc(C(=O)Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.51
▸ RAB9A P51151 11/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ PKM P14618 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 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
SCHEMBL23070442 0.84 HPGD (0.53) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL336771 0.83 SMN1; SMN2 (0.63) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1489033 0.83 RAB9A (0.47) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL845424 0.83 GABRA1 (0.53) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL302204 0.82 CSNK2A1 (0.48) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2468939 0.81 NPC1 (0.55) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9542887 0.81 HPGD (0.50) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL29965429 0.81 NPC1 (0.55) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL4724717 0.81 HPGD (0.54) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5700495 0.81 HPGD (0.50) HPGDRAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810016-A A kind of mixture of enantiomers and its preparation method and application 大连凯飞化学股份有限公司 2019-05-28 — — CN claimed
CN-103917515-A Isopropyl 3-chloro-4-methylbenzoate and method for producing same NIPPON LIGHT METAL CO 2014-07-09 — — CN claimed
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2019-08-22 — — US disclosed
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2019-05-28 — — US disclosed
CN-109810016-A A kind of mixture of enantiomers and its preparation method and application 大连凯飞化学股份有限公司 2019-05-28 — — CN disclosed
CN-108218708-A The preparation method and its usage of the chloro- 4- methyl -2- nitrobenzoic acids of 5- 利尔化学股份有限公司 2018-06-29 — — CN disclosed
US-9914736-B2 TrKA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2018-03-13 — — US disclosed
US-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, LLC 2016-11-24 — — US disclosed
US-9440994-B2 Boron containing small molecules as antiprotozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-09-13 — — US disclosed
CN-103917515-A Isopropyl 3-chloro-4-methylbenzoate and method for producing same NIPPON LIGHT METAL CO 2014-07-09 — — CN disclosed
US-5874466-A REACTING AMINE AND ACYL CHLORIDE, HYDROGENOLYSIS ROHM AND HAAS COMPANY (US) 1999-02-23 — — US disclosed
CN-1173278-A N-acetonylbenzamide fungicides ROHM & HAAS (US) 1998-02-18 — — CN disclosed
EP-0816328-A2 Process for the manufacture of acetonylbenzamides ROHM AND HAAS COMPANY (US) 1998-01-07 — — EP disclosed
CN-1089595-A N-acetonyl benzamide and fungicidal action thereof ROHM & HAAS (US) 1994-07-20 — — CN disclosed
EP-0151529-B1 5-(AMINO OR SUBSTITUTED AMINO)-1,2,3-TRIAZOLES MERCK & CO. INC. (US) 1991-09-18 — — EP disclosed
US-4870182-A 4-Hydroxy-quinoline-3-carboxylic BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 — — US disclosed
US-4804760-A Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 — — US disclosed
EP-0245690-A1 Process for the preparation of 4-hydroxy-quinoline-3-carboxylic acids BAYER AG (DE) 1987-11-19 — — EP disclosed
EP-0151529-A2 5-(Amino or substituted amino)-1,2,3-triazoles MERCK & CO. INC. (US) 1985-08-14 — — 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 (4 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-20170158698-A1 TrKA Kinase Inhibitors, Compositions and Methods Thereof NGFR, NGF, NTRK2 HPGD 3617/4885RAB9A 2490/4885NPC1 1664/4885
US-20160340369-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP HPGD 3501/4885RAB9A 627/4885NPC1 216/4885
US-10301329-B2 Boron-containing small molecules as antiprotozoal agents BTD, BAD, BRI3BP HPGD 3501/4885RAB9A 627/4885NPC1 216/4885
US-20190256530-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP HPGD 3501/4885RAB9A 627/4885NPC1 216/4885

“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.