SCHEMBL19002486

SCHEMBL19002486

CCCC(=O)N(C)Cc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.51
MEP1B Q16820 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
PDK1 Q15118 1/20 0.44
AOC3 Q16853 1/20 0.44
GLA P06280 1/20 0.43
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
RIPK1 Q13546 3/20 0.42
PTGES O14684 1/20 0.41

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
SCHEMBL29565551 0.89 MEP1A (0.53) MEP1AMEP1BNPC1RAB9AKMT2A
SCHEMBL19049388 0.84 MEP1A (0.52) MEP1AMEP1BNPC1RAB9AKMT2A
SCHEMBL1379138 0.84 MEP1A (0.52) MEP1AMEP1BNPC1RAB9AKMT2A
SCHEMBL24160931 0.84 MEP1A (0.56) MEP1AMEP1BNPC1RAB9AKMT2A
SCHEMBL19002498 0.82 NSD2 (0.56) NPC1RAB9AKMT2ASLC6A2SLC6A4
SCHEMBL12505597 0.82 MEP1A (0.56) MEP1AMEP1BNPC1RAB9AKMT2A
SCHEMBL19049392 0.82 SLC6A2 (0.53) MEP1AMEP1BNPC1RAB9ASLC6A2
SCHEMBL19002494 0.82 MEP1A (0.53) MEP1AMEP1BNPC1RAB9AKMT2A
SCHEMBL17882315 0.81 RIPK1 (0.66) MEP1AMEP1BHSD17B1HSD17B2RIPK1
SCHEMBL19002587 0.80 HSD17B1 (0.56) NPC1RAB9AKMT2AHSD17B1HSD17B2

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 MEP1A 3642/4885MEP1B 3538/4885NPC1 2024/4885

“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.