SCHEMBL844745

SCHEMBL844745

CCOC(=O)c1cccnc1CC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HTT P42858 1/20 0.55
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
BRD4 O60885 1/20 0.49
MAPK1 P28482 1/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ELANE P08246 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
TP53 P04637 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
SCHEMBL1542171 0.89 TSHR (0.58) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL29570791 0.89 TSHR (0.58) TSHRHTTALDH1A1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL4720596 0.87 TSHR (0.56) TSHRHTTALDH1A1HSD17B10L3MBTL1
Bromide SCHEMBL16541033 0.87 TSHR (0.56) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL8200687 0.87 TSHR (0.56) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL15131223 0.87 TSHR (0.56) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL4034951 0.87 TSHR (0.56) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL10515633 0.86 MAPT (0.60) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL22912514 0.86 TSHR (0.54) TSHRHTTALDH1A1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL4719925 0.86 TSHR (0.54) TSHRHTTALDH1A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117547534-B Nicorandil sustained release preparation and preparation method thereof 江南大学 2024-07-12 CN disclosed
CN-117618376-A Nicorandil membrane controlled slow release tablet and preparation method thereof 江苏诺和必拓新药研发有限公司 2024-03-01 CN disclosed
CN-117547534-A Nicorandil sustained release preparation and preparation method thereof 江苏诺和必拓新药研发有限公司 2024-02-13 CN disclosed
CN-113518610-A Composition for lightening or whitening keratin materials 莱雅公司 2021-10-19 CN disclosed
CN-113438938-A Composition for lightening or whitening keratin materials 莱雅公司 2021-09-24 CN disclosed
CN-113226253-A Composition for lightening or whitening keratin materials 莱雅公司 2021-08-06 CN disclosed
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-11-17 US disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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 (6 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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP TSHR 4661/4885HTT 4119/4885ALDH1A1 577/4885
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 TSHR 543/4885HTT 3101/4885ALDH1A1 3041/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK TSHR 3944/4885HTT 3053/4885ALDH1A1 148/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 TSHR 543/4885HTT 3101/4885ALDH1A1 3041/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 TSHR 513/4885HTT 3134/4885ALDH1A1 3045/4885
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging MPI, MAG, MNS1 TSHR 1163/4885HTT 2841/4885ALDH1A1 4356/4885

“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.