SCHEMBL5347363

SCHEMBL5347363

N#CC(=O)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KCNMA1 Q12791 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43

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
SCHEMBL10933256 0.85 ATM (0.46) PARP1KMT2AALDH1A1PKMKDM4E
SCHEMBL5566147 0.82 PARP1 (0.59) PARP1KMT2AALDH1A1PKMERCC5
SCHEMBL17244256 0.80 PARP1 (0.57) PARP1KMT2AALDH1A1PKMERCC5
SCHEMBL10923792 0.79 TPMT (0.52) PARP1ALDH1A1RAB9ACYP3A4FLT1
SCHEMBL3693409 0.78 CA12 (0.52) KMT2APKMHPGDL3MBTL1CYP1A2
SCHEMBL29661090 0.78 CA12 (0.52) KMT2APKMHPGDL3MBTL1CYP1A2
SCHEMBL22187989 0.78 CA12 (0.57) PARP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL10750765 0.77 PARP1 (0.44) PARP1KMT2AALDH1A1PKMKDM4E
SCHEMBL10750769 0.77 PARP1 (0.44) PARP1KMT2AALDH1A1PKMKDM4E
Water SCHEMBL1456948 0.77 PARP1 (0.63) PARP1ERCC5FEN1KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4596885-A Process for the preparation of phenylglyoxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US claimed
US-4456565-A BY REACTING ANHYDRIDE WITH ANHYDROUS HYDROCYANIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US claimed
US-4302583-A BY HEATING THE CORRESPONDING DIMERIC ACYL CYANIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-11-24 US claimed
US-4238412-A CYANATION OF THE ANHYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US claimed
EP-3773012-A1 COMPOSITION FOR USE IN PREVENTION OR REDUCTION OF OXIDATIVE STRESS AND NEURODEGENERATIVE DISEASES Rasi, Simo (FI) 2021-02-17 EP disclosed
WO-2020212645-A1 COMPOSITION FOR USE IN PREVENTION OR REDUCTION OF OXIDATIVE STRESS AND NEURODEGENERATIVE DISEASES RASI SIMO (FI) 2020-10-22 WO disclosed
US-20190050533-A1 Redox-related context adjustments to a reference bioprocess model used in learning systems and methods based on redox indicators PTC THERAPEUTICS, INC. 2019-02-14 US disclosed
US-7250278-B2 α-keto acid reductase, method for producing the same, and method for producing optically active α-hydroxy acids using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-31 US disclosed
US-6777224-B2 FROM PHENYLGLYOXYLIC ACID USING MICROORGANISMS IN CULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-08-17 US disclosed
CN-1497046-A Alpha ketonic acid reductase and its preparation method, and method of preparing optical active alpha hydroxy acid using said reductase 大赛璐化学工业株式会社 2004-05-19 CN disclosed
US-20040086993-A1 Alpha-keto acid reductase, method for producing the same, and method for producing optically active alpha-hydroxy acids using the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-05-06 US disclosed
EP-1382674-A2 Alpha-keto acid reductase, method for producing the same, and method for producing optically active alpha-hydroxy acids using the same Daicel Chemical Industries, Ltd. (JP) 2004-01-21 EP disclosed
US-4302583-A BY HEATING THE CORRESPONDING DIMERIC ACYL CYANIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-11-24 US disclosed
US-4284584-A REACTING AN ANHYDRIDE WITH AN ALKALI METAL CYANIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0005484-B1 PROCESS FOR THE PREPARATION OF ACYL CYANIDES BAYER AG (DE) 1980-12-10 EP disclosed
US-4238412-A CYANATION OF THE ANHYDRIDE BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4228082-A FUNGICIDES OR CHEMICAL INTERMIDIATES FOR 1,2,4-TRIAZINONE HERBICIDES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-10-14 US disclosed
US-4224226-A FUNGICIDES BY CONDENSING AN ACYL CYANIDE WITH EITHER A TERTIARY ALCOHOL OR AN ALKENE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-09-23 US disclosed
EP-0005484-A1 Process for the preparation of acyl cyanides BAYER AG (DE) 1979-11-28 EP disclosed
US-4143068-A PROCESS FOR THE PREPARATION OF ACYL CYANIDE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-06 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-20040086993-A1 Alpha-keto acid reductase, method for producing the same, and method for producing optically active alpha-hydroxy acids using the same DHCR7, HSD17B12, DLD PARP1 4119/4885KMT2A 673/4885ALDH1A1 84/4885

“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.