SCHEMBL1720194

SCHEMBL1720194

COC(=O)NCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
TSHR P16473 2/20 0.58
HPGD P15428 2/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RIPK1 Q13546 1/20 0.53
BCHE P06276 1/20 0.53

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
SCHEMBL22837260 0.93 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTP53GLA
SCHEMBL7252186 0.89 TSHR (0.69) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL3895476 0.86 TSHR (0.66) ALDH1A1TSHRHPGDSMN1; SMN2MAPT
SCHEMBL17346792 0.85 TSHR (0.53) ALDH1A1TSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL6230841 0.84 AOC3 (0.63) ALDH1A1TSHRSMN1; SMN2
SCHEMBL15716011 0.83 ALDH1A1 (0.54) ALDH1A1HPGDTP53GLASMN1; SMN2
SCHEMBL10243694 0.83 KMT2A (0.59) ALDH1A1HPGDTP53GLASMN1; SMN2
SCHEMBL8750992 0.83 TSHR (0.58) ALDH1A1TSHRHPGDSMN1; SMN2MAPT
SCHEMBL8621389 0.83 GAA (0.55) ALDH1A1TSHRHPGDTP53GLA
SCHEMBL17342589 0.83 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724768-A N-alkyl substituted nitrogen-containing compound and preparation method thereof 武汉光化学技术研究院 2024-10-01 CN claimed
CN-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 CN claimed
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP claimed
CN-103288833-B Imidazo-triazine and imidazopyrimidine as kinase inhibitor 因塞特控股公司 2018-01-12 CN claimed
CN-103987697-B Substituted tetrahydroisoquinoline compounds as factor XIA inhibitors 百时美施贵宝公司 2017-04-26 CN claimed
US-9290441-B2 Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-22 US claimed
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 EP claimed
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-10-04 US claimed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO claimed
CN-101641093-A Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORP US 2010-02-03 CN claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
EP-0113965-A2 Process for the preparation of cephalosporin derivatives ICI PHARMA (FR) 1984-07-25 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0082648-A2 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES ADH5, ADH1C, ADH1A ALDH1A1 197/4885TSHR 1301/4885HPGD 524/4885

“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.