SCHEMBL243759

SCHEMBL243759

O=C(O)CCNc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.63
ITGAV P06756 4/20 0.63
CYP1A2 P05177 1/20 0.54
GAA P10253 2/20 0.53
FABP1 P07148 1/20 0.53
FABP6 P51161 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PKM P14618 2/20 0.52
CXCR4 P61073 1/20 0.50
CYP2D6 P10635 1/20 0.50
ITGB5 P18084 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
Hydrochloric Acid SCHEMBL14914649 0.98 ITGB3 (0.61) ITGB3ITGAVCYP1A2GAAFABP1
SCHEMBL4394126 0.90 ITGB3 (0.64) ITGB3ITGAVCYP1A2GAAFABP1
SCHEMBL2037116 0.88 ITGB3 (0.70) ITGB3ITGAVITGB5HDAC3HDAC4
SCHEMBL4398060 0.87 ITGB3 (0.68) ITGB3ITGAVITGB5HDAC3HDAC4
SCHEMBL4717622 0.87 ITGB3 (0.68) ITGB3ITGAVITGB5HDAC3HDAC4
SCHEMBL6302594 0.84 CYP1A2 (0.53) ITGB3ITGAVCYP1A2GAAFABP1
SCHEMBL13589546 0.84 CYP2C19 (0.56) ITGB3ITGAVCYP1A2GAAFABP1
SCHEMBL18541254 0.83 GAA (0.50) ITGB3ITGAVCYP1A2GAAFABP1
SCHEMBL18381352 0.82 ITGB3 (0.62) ITGB3ITGAVGAAITGB5ALDH1A1
SCHEMBL8180590 0.82 ITGB3 (0.62) ITGB3ITGAVGAAITGB5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110127869-B Environment-friendly neutral scale and corrosion inhibitor for oil extraction and preparation method thereof 黑龙江益瑞化工有限公司 2020-10-09 CN claimed
EP-2978750-B1 \"SYNTHESIS OF DABIGATRAN\ USV PRIVATE LTD (IN) 2020-03-04 EP claimed
EP-3165521-B1 METHOD OF PREPARING DABIGATRAN ETEXILATE INTERMEDIATE AND INTERMEDIATE COMPOUND SHANGHAI INST PHARMACEUTICAL IND (CN) 2019-01-16 EP claimed
EP-2834224-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND SALTS THEREOF MSN LAB LTD (IN) 2018-06-06 EP claimed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US claimed
EP-1880711-B1 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2016-07-20 EP claimed
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 US claimed
EP-2978750-A2 \"SYNTHESIS OF DABIGATRAN\ USV Limited (IN) 2016-02-03 EP claimed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US claimed
WO-2014167577-A2 \"SYNTHESIS OF DABIGATRAN\ USV LIMITED (IN) 2014-10-16 WO claimed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US claimed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP claimed
EP-0966454-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2003-05-07 EP claimed
EP-4584387-A1 MULITIVALENCY FOR ENZYME INHIBITION Indiana University Research and Technology Corporation (US) 2025-07-16 EP disclosed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
WO-2024054372-A1 MULITIVALENCY FOR ENZYME INHIBITION INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2024-03-14 WO disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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 (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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 ITGB3 2978/4885ITGAV 1970/4885CYP1A2 4191/4885
US-20160060248-A1 SYNTHESIS OF DABIGATRAN ESD, F2, PROC ITGB3 91/4885ITGAV 513/4885CYP1A2 247/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ITGB3 4773/4885ITGAV 4824/4885CYP1A2 3980/4885

“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.