SCHEMBL19734035

SCHEMBL19734035

C/N=C\c1cc(C(C)C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
PTGS1 P23219 2/20 0.47
TRPA1 O75762 1/20 0.47
CACNA1C Q13936 1/20 0.47
TYR P14679 2/20 0.38
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 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
SCHEMBL24757633 0.83 LMNA (0.47) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL22676127 0.80 LMNA (0.44) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL19320484 0.79 TYR (0.49) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL27304478 0.79 LMNA (0.43) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL18949040 0.78 PTGS1 (0.44) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL20805858 0.77 KDM4E (0.37) LMNAPTGS1TRPA1CACNA1CKDM4E
SCHEMBL7122025 0.76 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL1302119 0.76 TYR (0.58) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL7804625 0.76 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CTYR
SCHEMBL30322428 0.76 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2019-05-21 US disclosed
US-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-12-21 US 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 (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-20170360756-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 LMNA 2393/4885PTGS1 2219/4885TRPA1 4826/4885
US-10292968-B2 Substituted heterocycles as bromodomain inhibitors BRD4, BRD3, BRD1 LMNA 2393/4885PTGS1 2219/4885TRPA1 4826/4885

“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.