SCHEMBL4253164

SCHEMBL4253164

NCc1ccc(C(N)=NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.56
F10 P00742 1/20 0.56
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
KDM1A O60341 2/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
ABAT P80404 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ST14 Q9Y5Y6 2/20 0.42

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
SCHEMBL4253161 1.00 LOXL2 (0.56) LOXL2F10RAB9AGAAKDM1A
SCHEMBL5154701 1.00 LOXL2 (0.56) LOXL2F10RAB9AGAAKDM1A
Hydrochloric Acid SCHEMBL6743119 0.98 LOXL2 (0.54) LOXL2F10RAB9AGAAKDM1A
Hydrochloric Acid SCHEMBL18300738 0.98 LOXL2 (0.54) LOXL2F10RAB9AGAAKDM1A
Hydrochloric Acid SCHEMBL6743124 0.98 LOXL2 (0.54) LOXL2F10RAB9AGAAKDM1A
Hydrochloric Acid SCHEMBL18300737 0.98 LOXL2 (0.54) LOXL2F10RAB9AGAAKDM1A
SCHEMBL6651592 0.83 TAAR1 (0.50) LOXL2RAB9AGAAKDM1ANOS3
SCHEMBL21215222 0.83 KDM1A (0.60) RAB9AGAAKDM1ANPC1LMNA
SCHEMBL320861 0.82 PRSS1 (0.56) RAB9AGAAKDM1ANOS3NOS1
SCHEMBL320862 0.82 PRSS1 (0.56) RAB9AGAAKDM1ANOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462021-B1 MELAGATRAN OR DERIVATIVE; NONVALVULAR ATRIAL FIBRILLATION; THROMBOTIC OR ISCHEMIC STROKE, TRANSIENT ISCHEMIC ATTACK OR SYSTEMIC EMBOLISM ASTRAZENECA AB (SE) 2002-10-08 US claimed
EP-3814343-A1 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2021-05-05 EP disclosed
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US disclosed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2016-12-15 US disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
US-20090227559-A1 SNPS IN THE APOB GENE AND SUSCEPTIBILITY TO INCREASED LEVELS OF ALAT FOLLOWING XIMELAGATRAN ADMINISTRATION ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090054394-A1 POLYMORPHISMS IN MGST3 ARE ASSOCIATED WITH ELEVATED ALAT LEVELS AFTER XIMELAGATRAN TREATMENT ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1107980-B1 CRYSTALLINE FORMS OF EtO2C-CH2-(R)Cgl-Aze-Pab-OH ASTRAZENECA AB (SE) 2003-01-22 EP disclosed
US-6440939-B2 THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1215213-A2 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-06-19 EP disclosed
US-20010023244-A1 New crystalline forms ASTRA AKTIEBOLAG 2001-09-20 US disclosed
US-6262028-B1 CONTAINING OXY-SUBSTITUTED AMIDINOBENZYL DERIVATIVES OF DIPEPTIDES FROM CYCLOHEXYLGLYCINE AND AZETIDINE-2-CARBOXYLIC ACID; ximelagatran ASTRAZENECA AB (SE) 2001-07-17 US disclosed
EP-1107980-A1 CRYSTALLINE FORMS OF EtO 2?C-CH 2?-($i(R))Cgl-Aze-Pab-OH AstraZeneca AB (SE) 2001-06-20 EP disclosed
US-6225287-B1 INHIBITION OF THROMBIN; EASE OF HANDLING; IMPROVED CHEMICAL AND SOLID STATE STABILITY; CRYSTALLISED IN GOOD YIELDS, HIGHER PURITY, IN LESS TIME, MORE CONVENIENTLY, AND AT A LOWER COST, ASTRA AKTIEBOLAG (SE) 2001-05-01 US disclosed
EP-0995755-A1 Prodrugs of Thrombin inhibitors Astra Aktiebolag (SE) 2000-04-26 EP disclosed
WO-2000014110-A1 CRYSTALLINE FORMS OF EtO2C-CH2-(R)Cgl-Aze-Pab-OH ASTRAZENECA AB (SE) 2000-03-16 WO disclosed
US-5965692-A ANTICOAGULANTS FOR TREATMENT OF THROMOBOSIS AND HYPERCOAGULABILITY IN BLOOD AND TISSUES ASTRA AB (SE) 1999-10-12 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 (3 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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 LOXL2 1090/4885F10 544/4885RAB9A 2869/4885
US-20160362427-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 LOXL2 1090/4885F10 544/4885RAB9A 2869/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 LOXL2 1090/4885F10 544/4885RAB9A 2869/4885

“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.