SCHEMBL19701952

SCHEMBL19701952

CC(C)c1cccc(C2CC2C(=O)NC2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
SIGMAR1 Q99720 2/20 0.50
KDM5A P29375 1/20 0.45
KDM1A O60341 2/20 0.42
HDAC4 P56524 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ADAM10 O14672 2/20 0.41
ERBB2 P04626 1/20 0.41
ROCK2 O75116 1/20 0.41
GPR88 Q9GZN0 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL19710250 0.82 HPGD (0.61) HPGDSIGMAR1HDAC4ALDH1A1
SCHEMBL26816770 0.80 FFAR1 (0.47) HPGDSIGMAR1HDAC4ALDH1A1GPR88
SCHEMBL25773047 0.77 CYP1A2 (0.52) HPGDALDH1A1ROCK2GPR88
SCHEMBL25773046 0.77 CYP1A2 (0.52) HPGDALDH1A1ROCK2GPR88
SCHEMBL25773054 0.73 IKBKB (0.45) HPGDALDH1A1ROCK2
SCHEMBL25773057 0.73 IKBKB (0.45) HPGDALDH1A1ROCK2
SCHEMBL25773051 0.72 ROCK2 (0.47) HPGDALDH1A1ROCK2GPR88
SCHEMBL25773050 0.72 ROCK2 (0.47) HPGDALDH1A1ROCK2GPR88
SCHEMBL25773048 0.72 ROCK2 (0.45) ROCK2GPR88
SCHEMBL12026594 0.72 ROCK2 (0.59) ROCK2

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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 HPGD 3509/4885SIGMAR1 1803/4885KDM5A 2183/4885

“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.