SCHEMBL19002283

SCHEMBL19002283

CCC(=O)NCCc1cnccc1OC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MTNR1A P48039 4/20 0.50
▸ MTNR1B P49286 3/20 0.50

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
SCHEMBL19049440 0.86 MTNR1A (0.64) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL19151037 0.86 LMNA (0.49) MEN1KMT2A
SCHEMBL18997723 0.82 ALDH1A1 (0.51) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL14241869 0.80 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL26789763 0.77 HTT (0.55) MEN1KMT2A
SCHEMBL23222222 0.75 NOS3 (0.45) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8871850 0.75 MTNR1A (0.56) MTNR1A
SCHEMBL91395 0.75 CA12 (0.50) MEN1KMT2A
SCHEMBL30421834 0.74 POLB (0.51) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL20520330 0.74 CA12 (0.44) MEN1KMT2AMTNR1A

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 MEN1 4080/4885KMT2A 3544/4885MTNR1A 1704/4885

“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.

Send feedback