SCHEMBL55828

SCHEMBL55828

NC(=O)Nc1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PEPD P12955 1/20 0.38
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 2/20 0.36
IKBKB O14920 3/20 0.35
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
TYR P14679 1/20 0.34
TAS2R38 P59533 1/20 0.34
CYP1A2 P05177 2/20 0.34
POLB P06746 2/20 0.34
RECQL P46063 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL9725165 0.83 SMN1; SMN2 (0.44) MAPTALDH1A1NPC1TSHRTP53
SCHEMBL5482039 0.81 NPC1 (0.32) GAAMAPTGFERKDM4EALDH1A1
SCHEMBL6033544 0.81 SMN1; SMN2 (0.38) GAAMAPTKDM4EALDH1A1NPC1
SCHEMBL3128742 0.81 ALDH1A1 (0.50) GAAMAPTKDM4EALDH1A1CYP3A4
SCHEMBL11072074 0.81 SMN1; SMN2 (0.33) ALDH1A1TSHRHSD17B10TP53RECQL
SCHEMBL11465101 0.79 SMN1; SMN2 (0.32) MAPTKDM4ECYP3A4TSHRHSD17B10
SCHEMBL623657 0.79 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TP53TYR
SCHEMBL97108 0.79 HSD17B10 (0.48) GAAMAPTALDH1A1NPC1CYP3A4
SCHEMBL891250 0.79 CA1 (0.44) CYP3A4CYP1A2RECQLLMNA
SCHEMBL3760045 0.78 PTPN1 (0.46) TSHRTP53SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105934431-B Process for preparing substituted urea compounds 比亚尔-珀特拉和CA股份公司 2020-11-17 CN claimed
CN-109232643-A A kind of preparation method of phosphoramide types ox feed additive 河南湾流生物科技有限公司 2019-01-18 CN claimed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP claimed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP claimed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP claimed
CN-107353257-A A kind of thixotropy Low Molecular-Weight Gel and preparation method thereof 湖北航天化学技术研究所 2017-11-17 CN claimed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US claimed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US claimed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
US-4801721-A Stereospecific synthesis of carboxyalkyl peptides RYAN JAMES W (US) 1989-01-31 US claimed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US claimed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US claimed
EP-0184384-A1 Substituted dihydroquinolone carboxylic acids, anti-bacterial compositions containing them PFIZER INC. (US) 1986-06-11 EP claimed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US claimed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP claimed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP claimed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP claimed
US-4032652-A SUBSTITUTED 2H-PYRAN-2,6(3H)-DIONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH DERIVATIVES AND METHODS OF INHIBITING THE ANTIGEN-ANTIBODY REACTION SMITHKLINE CORPORATION (US) 1977-06-28 US 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 (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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 GAA 130/4885MAPT 2654/4885GFER 3336/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 GAA 130/4885MAPT 2654/4885GFER 3336/4885

“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.