SCHEMBL19001318

SCHEMBL19001318

CCC(=O)NCCc1ccnc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
ACACB O00763 1/20 0.47
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SPR P35270 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 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
SCHEMBL19049396 0.84 POLB (0.42) MAPTTRPV1ALDH1A1
SCHEMBL19049444 0.84 KDM4E (0.59) MTNR1AMTNR1BACACBHSD17B10MAPT
SCHEMBL19002636 0.84 HSD17B10 (0.44) KMT2AHSD17B10MAPTTRPV1MEN1
SCHEMBL19002284 0.81 MTNR1A (0.53) MTNR1AMTNR1BACACB
SCHEMBL24827546 0.81 KDM4E (0.44) KMT2AHSD17B10MAPTTRPV1MEN1
SCHEMBL19001327 0.81 POLB (0.47) KMT2AHSD17B10MAPTMEN1ALDH1A1
SCHEMBL12313360 0.79 SMN1; SMN2 (0.58) MTNR1AMTNR1BACACBKMT2AHSD17B10
SCHEMBL5361830 0.77 MAPT (0.55) HSD17B10MAPTALDH1A1KDM4ELMNA
SCHEMBL19002286 0.77 ACACB (0.51) MTNR1AMTNR1BACACBKMT2AHSD17B10
SCHEMBL17205984 0.76 MAPT (0.71) MTNR1AMTNR1BKMT2AHSD17B10MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
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 MTNR1A 1704/4885MTNR1B 1599/4885ACACB 807/4885

“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.