SCHEMBL19002645

SCHEMBL19002645

CNCc1ccc(OCC(N)=O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C19 P33261 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CYP1A2 P05177 1/20 0.62
MAPT P10636 1/20 0.62
POLB P06746 3/20 0.61
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HTT P42858 1/20 0.60
SNCA P37840 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TSHR P16473 1/20 0.51
MAPK10 P53779 1/20 0.51
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL19049561 0.87 MEN1 (0.65) MEN1KMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL19002640 0.86 KMT2A (0.63) MEN1KMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL21901116 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL1034882 0.83 CA2 (0.69) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL31114400 0.83 CA2 (0.69) MEN1KMT2AALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL10772018 0.81 CA2 (0.67) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL9550638 0.79 CA2 (0.58) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1251841 0.79 CALM1 (0.58) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL15652814 0.77 MAPT (0.60) MEN1KMT2AALDH1A1CYP2D6CYP2C19
SCHEMBL12180472 0.77 ACHE (0.60) MEN1KMT2AALDH1A1CYP2D6CYP2C19

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 3544/4885ALDH1A1 2765/4885

“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.