SCHEMBL19002463

SCHEMBL19002463

CCC(=O)N1CCNC(c2ccccc2C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
BRD4 O60885 1/20 0.41
BLM P54132 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
OPRM1 P35372 1/20 0.37
BTK Q06187 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL18947208 0.90 EPHX2 (0.38) EPHX2BRD4BLMMEN1KMT2A
SCHEMBL18947444 0.87 BLM (0.40) EPHX2BLMMEN1KMT2AOPRM1
SCHEMBL18947216 0.86 EPHX2 (0.43) EPHX2BLMMEN1KMT2AOPRM1
SCHEMBL19002562 0.86 GSK3B (0.43) EPHX2BRD4BLMMEN1KMT2A
SCHEMBL23222196 0.85 MAOB (0.39) BRD4MEN1KMT2AMAPTCYP2C9
SCHEMBL25353405 0.85 BRD4 (0.38) BRD4TSHRCYP2C9HRH4
SCHEMBL25358394 0.85 BRD4 (0.38) BRD4TSHRCYP2C9HRH4
SCHEMBL18947314 0.85 MEN1 (0.46) EPHX2MEN1KMT2ABTKTSHR
SCHEMBL19002453 0.84 PDE10A (0.46) MEN1KMT2ACYP2C9
SCHEMBL25354550 0.83 MAOB (0.37) BRD4HRH4

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 EPHX2 2625/4885BRD4 503/4885BLM 3566/4885

“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.