SCHEMBL753410

SCHEMBL753410

COC(=O)c1ccc(C(=O)CC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPT P10636 6/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 2/20 0.49
AGTR1 P30556 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL30237946 0.85 PTPN11 (0.50) CA1CA2CA12CA7CA9
SCHEMBL21694382 0.85 PTPN11 (0.50) CA1CA2CA12CA7CA9
SCHEMBL395103 0.84 GSK3B (0.48) TDP1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL925696 0.83 CA1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL7827586 0.83 LOXL2 (0.51) MAPTLOXL2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7965936 0.82 ALDH1A1 (0.41) TDP1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL135620 0.81 HDAC3 (0.59) CA1CA2TDP1MAPTALDH1A1
SCHEMBL11391147 0.80 CA1 (0.64) CA1CA2TDP1CA12CA7
Cyanate SCHEMBL28803587 0.80 CA1 (0.64) CA1CA2TDP1CA12CA7
Water SCHEMBL22720573 0.79 CA1 (0.76) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528800-B2 Pesticidal compounds BASF SE (DE) 2026-01-20 US disclosed
CN-117510505-A Pyrimidopyrazoles derivatives and their use in medicine 中国药科大学 2024-02-06 CN disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 EP disclosed
CN-116157398-A 2- (4- ((5- (benzo [ b ] thiophen-3-yl) -1H-tetrazol-1-yl) methyl) phenyl) -5- (difluoromethyl) -1,3, 4-oxadiazole derivatives and similar compounds as selective inhibitors of histone deacetylase 6 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 CN disclosed
CN-110272400-B Synthesis method of 2-trifluoromethyl substituted furan compound and derivative thereof 福州大学 2022-08-23 CN disclosed
US-20210395243-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-12-23 US disclosed
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
US-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders KORDIK CHERYL P (US) 2002-05-30 US disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
WO-2001062737-A2 AMINO PYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF OBESITY AND OTHER DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-08-30 WO disclosed
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 WO disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
CN-1059723-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 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 (5 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-20020065289-A1 Amino pyrazole derivatives useful for the treatment of obesity and other disorders NPY5R, NPY1R, NPY4R CA1 4750/4885CA2 4173/4885TDP1 2949/4885
US-12528800-B2 Pesticidal compounds CBR1, CBR3, SCN1B CA1 1780/4885CA2 707/4885TDP1 3068/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CA1 2006/4885CA2 3798/4885TDP1 2859/4885
US-20210395243-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, DDT CA1 1475/4885CA2 764/4885TDP1 789/4885
US-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 CA1 1665/4885CA2 3830/4885TDP1 2167/4885

“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.