SCHEMBL4034951

SCHEMBL4034951

CCOC(=O)c1cccnc1CCl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 1/20 0.48
BRD4 O60885 1/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL844745 0.87 TSHR (0.59) TSHRHTTL3MBTL1MAPK1ALDH1A1
SCHEMBL29570791 0.86 TSHR (0.58) TSHRHTTL3MBTL1MAPK1ALDH1A1
SCHEMBL1542171 0.86 TSHR (0.58) TSHRHTTL3MBTL1MAPK1ALDH1A1
SCHEMBL15131223 0.84 TSHR (0.56) TSHRHTTL3MBTL1MAPK1ALDH1A1
SCHEMBL8200687 0.84 TSHR (0.56) TSHRHTTL3MBTL1MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL4720596 0.84 TSHR (0.56) TSHRHTTL3MBTL1MAPK1ALDH1A1
Bromide SCHEMBL16541033 0.84 TSHR (0.56) TSHRHTTL3MBTL1MAPK1ALDH1A1
SCHEMBL242591 0.84 TDP1 (0.51) TSHRHTTL3MBTL1ALDH1A1HSD17B10
SCHEMBL29363643 0.84 TDP1 (0.51) TSHRHTTL3MBTL1ALDH1A1HSD17B10
SCHEMBL15083812 0.84 HTT (0.52) TSHRHTTL3MBTL1MAPK1ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-09-18 US disclosed
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO disclosed
US-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS SOUTHERN RESEARCH INSTITUTE 2020-12-10 US disclosed
CN-104470902-B N- (3-heteroarylaryl) -4-arylarylarylcarboxamides and analogs as Hedgehog pathway inhibitors and uses thereof 南京英派药业有限公司 2017-05-24 CN disclosed
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
EP-0325730-B1 Method for the preparation of O-carboxyarylimindazolinones AMERICAN CYANAMID CO (US) 1994-06-15 EP disclosed
US-5103009-A Method for the preparation of herbicidal intermediates AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
US-5034532-A Oxidation and treatment with a bromination agent AMERICAN CYANAMID COMPANY (US) 1991-07-23 US disclosed
US-4959476-A CYCLIZATION, OXIDATION AMERICAN CYANAMID COMPANY (US) 1990-09-25 US disclosed
US-4861887-A CHEMICAL INTERMEDIATE FOR O-CARBOXYL IMIDAZOLINONE AMERICAN CYANAMID COMPANY (US) 1989-08-29 US disclosed
EP-0325730-A2 Method for the preparation of O-carboxyarylimindazolinones AMERICAN CYANAMID COMPANY (US) 1989-08-02 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK TSHR 2334/4885HTT 3712/4885L3MBTL1 437/4885
US-20250287942-A1 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS ACHE, BCHE, DDT TSHR 4454/4885HTT 1017/4885L3MBTL1 309/4885
US-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS HCK, PDXK, NADK TSHR 4511/4885HTT 436/4885L3MBTL1 3051/4885

“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.