SCHEMBL14753650

SCHEMBL14753650

[N-]=[N+]=NCc1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.41
▸ PPARG P37231 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH3A1 P30838 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ TYR P14679 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14189703 0.82 HDAC3 (0.45) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL16092973 0.82 CYP2A6 (0.40) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL15590854 0.81 HDAC3 (0.41) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL14378841 0.80 ALDH1A1 (0.44) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL14472433 0.77 HDAC3 (0.38) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL15233019 0.76 HDAC1 (0.41) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL15590852 0.76 HDAC3 (0.41) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL15605879 0.76 ADH1B (0.50) PPARGHDAC3HDAC1HDAC2HDAC8
Formic Acid SCHEMBL29231976 0.74 KAT2B (0.40) PPARGHDAC3HDAC1HDAC2HDAC8
SCHEMBL27934647 0.74 KDM4E (0.37) CYP2A6ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102584836-B Porphyrin cage compound, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2014-04-16 — — CN claimed
CN-102584836-A Porphyrin cage compound, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2012-07-18 — — CN claimed
US-20230110495-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2023-04-13 — — US disclosed
US-11092604-B2 Glucose sensor molecule BAXTER INTERNATIONAL INC. (US) 2021-08-17 — — US disclosed
US-20210052586-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2021-02-25 — — US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 — — US disclosed
US-20160178638-A1 Glucose Sensor Molecule VANTIVE HEALTH GMBH (CH) 2016-06-23 — — US disclosed
US-20160178638-A1 Glucose Sensor Molecule VANTIVE HEALTH GMBH (CH) 2016-06-23 — — US disclosed
US-9222941-B2 Glucose sensor molecules LIGHTSHIP MEDICAL LIMITED (GB) 2015-12-29 — — US disclosed
US-9222941-B2 Glucose sensor molecules LIGHTSHIP MEDICAL LIMITED (GB) 2015-12-29 — — US disclosed
US-20140147934-A1 Glucose sensor molecules ARES CAPITAL CORPORATION 2014-05-29 — — US disclosed
US-20130059394-A1 INDICATOR SYSTEM FOR FIBRE OPTIC SENSOR LIGHTSHIP MEDICAL LIMITED (GB) 2013-03-07 — — US disclosed
WO-2012095628-A1 GLUCOSE SENSOR MOLECULE LIGHTSHIP MEDICAL LIMITED (GB) 2012-07-19 — — WO disclosed
CN-102584836-A Porphyrin cage compound, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2012-07-18 — — CN disclosed
WO-2011101624-A1 INDICATOR SYSTEM FOR FIBRE OPTIC SENSOR GLYSURE LTD (GB) 2011-08-25 — — WO disclosed
EP-1877415-B1 NEW LABELLING STRATEGIES FOR THE SENSITIVE DETECTION OF ANALYTES BASECLICK GMBH (DE) 2010-09-01 — — EP disclosed
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 — — EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 — — US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 — — WO disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 — — 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 (7 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-20160178638-A1 Glucose Sensor Molecule GPR119, GCKR, IRS1 CYP2A6 4288/4885PPARG 2975/4885HDAC3 4422/4885
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX CYP2A6 1089/4885PPARG 959/4885HDAC3 1495/4885
US-20210052586-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, OAT CYP2A6 1079/4885PPARG 971/4885HDAC3 1503/4885
US-20140147934-A1 Glucose sensor molecules GPR119, GCKR, IRS1 CYP2A6 4230/4885PPARG 2877/4885HDAC3 4315/4885
US-11092604-B2 Glucose sensor molecule GPR119, GCKR, IRS1 CYP2A6 4288/4885PPARG 2975/4885HDAC3 4422/4885
US-20230110495-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, OAT CYP2A6 1079/4885PPARG 971/4885HDAC3 1503/4885
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG CYP2A6 776/4885PPARG 4491/4885HDAC3 466/4885

“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.

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