SCHEMBL19681185

SCHEMBL19681185

CC(=O)c1[nH]c2ccncc2c1NC(=O)CN1CCC(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.47
HSD17B10 Q99714 13/20 0.47
ALDH1A1 P00352 9/20 0.47
HPGD P15428 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.46
TSHR P16473 4/20 0.45
USP2 O75604 4/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTNNB1 P35222 1/20 0.45
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43

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
SCHEMBL19681179 0.89 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681018 0.87 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681239 0.86 KDM4E (0.62) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681026 0.85 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL21013064 0.77 KDM4E (0.43) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681243 0.76 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19667697 0.75 KDM4E (0.81) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681152 0.75 KDM4E (0.65) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681131 0.74 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL19681202 0.74 TSHR (0.55) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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

“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.