SCHEMBL3376117

SCHEMBL3376117

CCOC(=O)c1ccc(C#N)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAOA P21397 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL3832581 0.86 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6411960 0.83 KMT2A (0.52) CA12CA1CA2CA7CA9
SCHEMBL23149605 0.82 ALDH1A1 (0.43) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL30786531 0.82 ALDH1A1 (0.43) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL880697 0.82 MAPK1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL17672814 0.82 PDGFRB (0.43) CA12CA1CA2CA7CA9
SCHEMBL12160255 0.81 DGAT1 (0.40) CYP3A4KMT2ARARARARBRARG
SCHEMBL17672832 0.81 LMNA (0.43) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL853571 0.81 MAPK1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL3558245 0.81 KMT2A (0.50) CYP3A4KMT2ALMNARARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 EP disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2021-09-23 US disclosed
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2021-09-23 US disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
EP-3738434-A1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2020-11-18 EP disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 WO disclosed
EP-0091464-B1 METHOD FOR THE PREPARATION OF CYANO-HETEROCYCLES SCHERING AKTIENGESELLSCHAFT (DE) 1986-04-16 EP disclosed
EP-0091464-A1 METHOD FOR THE PREPARATION OF CYANO-HETEROCYCLES. SCHERING AG (DE) 1983-10-19 EP disclosed
WO-1983001446-A1 METHOD FOR THE PREPARATION OF CYANO-HETEROCYCLES VORBRÜGGEN, Helmut 1983-04-28 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 (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-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CA12 1388/4885CA1 2823/4885CA2 258/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CA12 4021/4885CA1 3626/4885CA2 4346/4885
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CA12 1388/4885CA1 2823/4885CA2 258/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 CA12 4021/4885CA1 3626/4885CA2 4346/4885
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CA12 1388/4885CA1 2823/4885CA2 258/4885

“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.