SCHEMBL19002286

SCHEMBL19002286

CCC(=O)NCCc1ccc(O)nc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.51
MTNR1A P48039 2/20 0.48
MTNR1B P49286 1/20 0.48
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.42
F13A1 P00488 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 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
SCHEMBL15492721 0.84 KDM4E (0.62) ACACBMTNR1AMTNR1BHPGDKDM4E
SCHEMBL19002635 0.84 HPGD (0.46) HPGDKDM4EF13A1HSD17B10SMN1; SMN2
SCHEMBL19001320 0.82 ACACB (0.48) ACACBMTNR1AMTNR1BHPGDSMN1; SMN2
SCHEMBL19002285 0.81 ACACB (0.51) ACACBMTNR1AMTNR1BKDM4EMEN1
SCHEMBL18997759 0.80 POLB (0.48) ACACBHPGDKDM4EF13A1HSD17B10
SCHEMBL7842536 0.78 KDM4E (0.68) ACACBMTNR1AMTNR1BHPGDKDM4E
SCHEMBL19001318 0.77 MTNR1A (0.54) ACACBMTNR1AMTNR1BHPGDKDM4E
Bromide SCHEMBL29990070 0.77 KDM4E (0.66) ACACBMTNR1AMTNR1BHPGDKDM4E
SCHEMBL12313357 0.75 HDAC2 (0.56) MTNR1AMTNR1BSMN1; SMN2MEN1MAPT
SCHEMBL19001316 0.75 ACACB (0.48) ACACBMTNR1AMTNR1B

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 ACACB 807/4885MTNR1A 1704/4885MTNR1B 1599/4885

“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.