SCHEMBL3828592

SCHEMBL3828592

NC(=O)c1ccccc1CF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
METAP2 P50579 1/20 0.47
BCAT2 O15382 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
NPC1 O15118 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
Bromide SCHEMBL3655522 0.98 KDM4E (0.48) KDM4EALDH1A1MAPTTSHRHSD17B10
Oxalic Acid SCHEMBL3653917 0.94 BCAT2 (0.46) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7874452 0.83 ALDH1A1 (0.47) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL4735612 0.82 ALDH1A1 (0.54) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7134588 0.82 TSHR (0.54) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL28801221 0.81 CTSD (0.52) KDM4EALDH1A1MAPTHPGDBCAT2
SCHEMBL28505829 0.80 ALDH1A1 (0.35) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL30839543 0.80 ALDH1A1 (0.44) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL2285452 0.80 BCAT2 (0.44) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL162322 0.80 MAPT (0.52) KDM4EALDH1A1MAPTTSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110475550-A CRAC channel inhibitor composition CALCIMEDICA INC 2019-11-19 CN claimed
CN-109999036-A For treating the antiandrogen of non-metastatic castration-resistant prostate cancer 阿拉贡药品公司 2019-07-12 CN claimed
CN-109908114-A For treating the antiandrogen of non-metastatic castration-resistant prostate cancer 阿拉贡药品公司 2019-06-21 CN claimed
CN-107530333-A Treatment of pancreatitis 钙医学公司 2018-01-02 CN claimed
CN-104430357-A Bactericide composition containing coumoxystrobin with synergistic effect JILIN BADA PESTICIDE CO LTD 2015-03-25 CN claimed
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-04 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
CN-110475550-A CRAC channel inhibitor composition CALCIMEDICA INC 2019-11-19 CN disclosed
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 CN disclosed
CN-105683178-B triazine derivatives 卡尔那生物科学株式会社 2019-04-12 CN disclosed
CN-104447727-B Substituted amino-metadiazine compound and its application method and purposes 广东东阳光药业有限公司 2018-04-27 CN disclosed
CN-104844589-B A kind of PI3K kinase inhibitors 中国科学院合肥物质科学研究院 2018-04-20 CN disclosed
CN-103749479-A Sterilization composition containing 2-cyan-3-amino-3-phenylacrylate and amide bactericides SHAANXI SUNGER ROAD BIO SCI CO 2014-04-30 CN disclosed
CN-103748088-A Tyrosine Kinase Inhibitors HOFFMANN LA ROCHE 2014-04-23 CN disclosed
CN-102771502-B Bactericidal composition containing cyanomycolate and amide bactericide SHAANXI SUNGER ROAD BIO SCI CO 2014-03-19 CN disclosed
EP-2102177-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071944-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 KDM4E 1830/4885ALDH1A1 4108/4885MAPT 2052/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885ALDH1A1 3102/4885MAPT 16/4885
US-11618753-B2 Aminopyrrolotriazines as kinase inhibitors RIPK1, RIPK2, RIPK4 KDM4E 1830/4885ALDH1A1 4108/4885MAPT 2052/4885

“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.