SCHEMBL504660

SCHEMBL504660

CCOC(=N)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
DGAT1 O75907 1/20 0.45
LMNA P02545 4/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CTNNB1 P35222 1/20 0.41

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 SCHEMBL4430965 0.98 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL5450983 0.98 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15301296 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL30314230 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL22653498 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4380607 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29809810 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL64613 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
Ethyl Picolinate SCHEMBL126181 0.78 CYP1A2 (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
Ethyl Picolinate SCHEMBL30016787 0.78 CYP1A2 (0.65) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
CN-109867623-B 3-pyridyl-3-amino-2-cyanoacrylate compounds and preparation method and application thereof 江苏省农药研究所股份有限公司 2021-02-09 CN disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
EP-2609236-A1 PEPTIDE LIBRARIES FOR SCREENING AND OTHER APPLICATIONS Agency For Science, Technology And Research (SG) 2013-07-03 EP disclosed
WO-2012026887-A1 PEPTIDE LIBRARIES FOR SCREENING AND OTHER APPLICATIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-03-01 WO disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-5436338-A Aromatic amidine compounds for radiation resistance GIVAUDAN-ROURE CORPORATION (US) 1995-07-25 US disclosed
US-5243055-A Photostability GIVAUDAN CORPORATION (US) 1993-09-07 US disclosed
EP-0491280-A1 Formamidines useful as ultraviolet light absorbers GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-06-24 EP disclosed
US-4788210-A PESTICIDES HOFFMANN-LA ROCHE INC. (US) 1988-11-29 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 (2 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 ALDH1A1 1260/4885KDM4E 3907/4885SMN1; SMN2 451/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT ALDH1A1 658/4885KDM4E 4149/4885SMN1; SMN2 74/4885

“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.