SCHEMBL19019043

SCHEMBL19019043

CCCCCCCC(CC)Nc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5466633 0.93 LMNA (0.44) LMNACYP1A2CYP2C19CYP2D6HDAC1
SCHEMBL23929244 0.91 THRB (0.43) LMNAHDAC1SMN1; SMN2ALDH1A1TP53
SCHEMBL23929266 0.83 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1TP53HSP90AA1CYP3A4
SCHEMBL30464709 0.83 HDAC8 (0.43) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL27635962 0.83 HDAC8 (0.43) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL20655979 0.83 HDAC8 (0.43) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL29745004 0.83 HDAC8 (0.43) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL11533028 0.83 HDAC8 (0.43) HDAC1HDAC3HDAC2SMN1; SMN2ALDH1A1
SCHEMBL28770186 0.81 KCNH3 (0.41) LMNAHDAC1SMN1; SMN2ALDH1A1TP53
SCHEMBL20746963 0.81 ALDH1A1 (0.47) LMNACYP1A2CYP2C19CYP2D6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 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 (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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 LMNA 2571/4885CYP1A2 2393/4885CYP2C19 2378/4885

“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.