SCHEMBL19680997

SCHEMBL19680997

CCOC(=O)c1[nH]c2ncccc2c1NC(=O)CN1CCCC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.59
ALDH1A1 P00352 12/20 0.59
HSD17B10 Q99714 12/20 0.59
HPGD P15428 11/20 0.59
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HTT P42858 2/20 0.53
LMNA P02545 4/20 0.50
USP2 O75604 3/20 0.50
HIF1A Q16665 1/20 0.49
GLA P06280 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
RCE1 Q9Y256 1/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL259185 0.72 MAPT (0.60) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681211 0.72 KDM4E (0.81) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681173 0.70 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL16464368 0.70 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19680996 0.70 KDM4E (0.77) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL19681233 0.69 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL5761859 0.69 ALDH1A1 (0.60) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13298472 0.68 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL259189 0.67 MAPT (0.71) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL16464155 0.67 HTR6 (0.51) KDM4EALDH1A1HSD17B10HPGDMEN1

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 932/4885ALDH1A1 4735/4885HSD17B10 4416/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885ALDH1A1 4735/4885HSD17B10 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.