SCHEMBL19002623

SCHEMBL19002623

CCC(=O)NCCc1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL13266983 0.90 MEN1 (0.48) SMN1; SMN2MEN1KMT2AMTNR1AMTNR1B
SCHEMBL11101654 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AALDH1A1LMNAGAA
SCHEMBL13875066 0.83 HTT (0.44) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL15616940 0.83 MEN1 (0.36) SMN1; SMN2MEN1KMT2AKDM4EMTNR1A
SCHEMBL18839657 0.81 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL23028661 0.81 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL15312533 0.80 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL19002630 0.79 POLB (0.40) SMN1; SMN2KDM4EALDH1A1HPGDTSHR
SCHEMBL19059340 0.78 LMNA (0.44) SMN1; SMN2TSHRLMNAGAA
SCHEMBL23028662 0.78 GAA (0.33) TSHRLMNAGAA

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 SMN1; SMN2 4331/4885MEN1 4080/4885KMT2A 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.