SCHEMBL6157464

SCHEMBL6157464

N#CC(=NO)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.44
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6157461 1.00 C1S (0.44) C1SPARP1ALDH1A1TP53HPGD
SCHEMBL15066534 0.78 CES2 (0.47) PARP1ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL15066533 0.78 CES2 (0.47) PARP1ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL17966195 0.78 HSD17B10 (0.45) PARP1TP53HPGDSMN1; SMN2
SCHEMBL17966196 0.78 HSD17B10 (0.45) PARP1TP53HPGDSMN1; SMN2
SCHEMBL9823556 0.78 F2 (0.44) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL10761499 0.78 GSK3B (0.53) ALDH1A1
SCHEMBL10761496 0.78 GSK3B (0.53) ALDH1A1
SCHEMBL10750769 0.78 PARP1 (0.44) PARP1ALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL10750765 0.78 PARP1 (0.44) PARP1ALDH1A1HPGDSMN1; SMN2GAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924300-B2 Oxyiminoalkanoic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
EP-1077957-B1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-08-04 EP disclosed
EP-1428531-A1 Oxyiminoalkanoic acid derivatives with hypoglycemic and hypolipidemic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-16 EP disclosed
CN-1148361-C Oxyiminoalkanoic acid derivatives ����ҩƷ��ҵ��ʽ���� 2004-05-05 CN disclosed
US-20030186985-A1 Oxyiminoalkanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6495581-B1 DRUG FOR TREATING DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE, ARTERIAL SCLEROSIS AND IMPROVING INSULIN RESISTANCE, INFLAMMATORY DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
US-6251926-B1 OXYIMINOALKANOIC ACID DERIVATIVES HAVING HYPOGLYCEMIC EFFECT AND HYPOLIPIDEMIC EFFECT, IS USEFUL FOR TREATMENT OF DIABETES MELLITUS, HYPERLIPEMIA, IMPAIRED GLUCOSE TOLERANCE INFLAMMATORY DISEASE AND ARTERIOSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
CN-1300285-A Hydroxyiminoalkanoic Acid Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-20 CN disclosed
EP-1077957-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2001-02-28 EP disclosed
WO-1999058510-A1 OXYIMINOALKANOIC ACID DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-18 WO 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-20030186985-A1 Oxyiminoalkanoic acid derivatives GPR119, IRS1, CPT1A C1S 4368/4885PARP1 4162/4885ALDH1A1 2409/4885

“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.