SCHEMBL19002583

SCHEMBL19002583

CCCC(=O)N(C)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
KMT2A Q03164 1/20 0.53
MTOR P42345 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B3 P37058 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
TPSAB1 Q15661 2/20 0.47
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
RIPK1 Q13546 2/20 0.44
CDK4 P11802 1/20 0.43
TSPO P30536 1/20 0.42

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
SCHEMBL1690816 0.84 NPC1 (0.82) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL19002580 0.81 ALDH1A1 (0.69) RAB9ANPC1KMT2AALDH1A1HTT
SCHEMBL11172546 0.81 RAB9A (0.56) RAB9ANPC1KMT2AALDH1A1HTT
SCHEMBL19002498 0.80 NSD2 (0.56) RAB9ANPC1KMT2AALDH1A1HTT
SCHEMBL13869716 0.80 KMT2A (0.84) RAB9ANPC1KMT2AMTORALDH1A1
SCHEMBL18868377 0.80 RAB9A (0.51) RAB9ANPC1KMT2AALDH1A1HTT
SCHEMBL19002587 0.80 HSD17B1 (0.56) RAB9ANPC1KMT2A
SCHEMBL3880049 0.80 RAB9A (0.51) RAB9ANPC1KMT2AMTORALDH1A1
SCHEMBL3892129 0.79 RAB9A (0.50) RAB9ANPC1KMT2AALDH1A1HTT
SCHEMBL22012939 0.78 RAB9A (0.49) RAB9ANPC1KMT2AALDH1A1HTT

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 RAB9A 2641/4885NPC1 2024/4885KMT2A 3544/4885

“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.