SCHEMBL3363708

SCHEMBL3363708

NC(=O)C1C=Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAPT P10636 1/20 0.32
PARP1 P09874 4/20 0.32
TRPA1 O75762 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL11205813 0.84 GAA (0.40) TSHRGAAALDH1A1NFKB1NFKB2
SCHEMBL13767766 0.82 NOTUM (0.37) LMNAMAPK1GAAALDH1A1NFKB1
SCHEMBL4824305 0.75 IDO1 (0.40) IDO1PARP1
SCHEMBL29769887 0.75 IDO1 (0.40) IDO1PARP1
SCHEMBL7924657 0.71 ALDH1A1 (0.38) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL15233622 0.71 PARP1 (0.36) IDO1PARP1
SCHEMBL1143179 0.71 PARP1 (0.36) IDO1PARP1
SCHEMBL2524855 0.71 PARP1 (0.36) IDO1GAAMAPTPARP1
Hydrochloric Acid SCHEMBL8120795 0.70 ALOX5 (0.38) ALDH1A1MTNR1A
SCHEMBL947069 0.70 NAMPT (0.38) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153188-B The fused ring analogs of antifibrotic agents 法博太科制药有限公司 2018-06-01 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A IDO1 372/4885LMNA 692/4885TSHR 1346/4885

“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.