SCHEMBL55829

SCHEMBL55829

NC(=O)Nc1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.58
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
KIF11 P52732 7/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
Pyridine SCHEMBL28192480 0.85 GAA (0.49) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL5062623 0.82 PEPD (0.80) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL5464327 0.79 F2 (0.41) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL2539930 0.78 SMN1; SMN2 (0.42) NPC1MAPTHSD17B10
Phenylurea SCHEMBL28263158 0.78 GAA (0.79) PEPDALDH1A1NPC1GAAMAPT
SCHEMBL19602 0.76 SMN1; SMN2 (0.60) ALDH1A1NPC1GAAMAPTMEN1
SCHEMBL3117207 0.76 ALDH1A1 (0.60) ALDH1A1GAAMAPTKIF11KMT2A
SCHEMBL1419477 0.76 PRSS1 (0.38) PEPDALDH1A1NPC1KMT2AHSD17B10
SCHEMBL1356630 0.76 CA1 (0.55) MEN1LMNAKMT2ACA1CA2
Phenylurea SCHEMBL54471 0.75 GAA (0.83) PEPDALDH1A1NPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
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-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 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
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-0060640-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1985-11-13 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 (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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 PEPD 244/4885ALDH1A1 631/4885NPC1 3659/4885

“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.