SCHEMBL19681017

SCHEMBL19681017

COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2cccc(OC)c2)C(C)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 19/20 0.85
MAPT P10636 13/20 0.85
HSD17B10 Q99714 13/20 0.85
MAPK1 P28482 5/20 0.85
TP53 P04637 2/20 0.85
ALDH1A1 P00352 15/20 0.83
LMNA P02545 5/20 0.83
NPSR1 Q6W5P4 5/20 0.83
HTT P42858 4/20 0.83
MEN1 O00255 3/20 0.83
KMT2A Q03164 3/20 0.83
HIF1A Q16665 1/20 0.83
HPGD P15428 13/20 0.76
SMN1; SMN2 Q16637 7/20 0.65
POLB P06746 1/20 0.65
TDP1 Q9NUW8 1/20 0.62
USP2 O75604 4/20 0.61
CASP7 P55210 1/20 0.61
GLA P06280 1/20 0.59
TSHR P16473 1/20 0.56

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
SCHEMBL19681016 0.75 MAPT (0.82) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL19681044 0.73 KDM4E (0.77) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL6335337 0.72 MAPT (0.51) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL19680989 0.70 KDM4E (0.81) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL19681240 0.68 KDM4E (0.57) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL18825288 0.67 KDM4E (0.82) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL30585535 0.67 KDM4E (0.82) KDM4EMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL19681002 0.67 KDM4E (0.78) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL18825285 0.67 USP2 (0.72) KDM4EMAPTHSD17B10MAPK1TP53
SCHEMBL30585550 0.67 USP2 (0.72) KDM4EMAPTHSD17B10MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor VANDERBILT UNIVERSITY (US) 2019-05-21 US disclosed
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-07 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 (2 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-10294214-B2 Positive allosteric modulators of human melanocortin-4 receptor MC4R, MC1R, MC3R KDM4E 932/4885MAPT 1844/4885HSD17B10 4416/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885MAPT 1844/4885HSD17B10 4416/4885

“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.