SCHEMBL19680989

SCHEMBL19680989

COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 19/20 0.81
MAPT P10636 14/20 0.81
ALDH1A1 P00352 13/20 0.81
HPGD P15428 12/20 0.81
MAPK1 P28482 9/20 0.81
NPSR1 Q6W5P4 5/20 0.81
HSD17B10 Q99714 14/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
HTT P42858 4/20 0.81
POLB P06746 2/20 0.81
LMNA P02545 6/20 0.71
USP2 O75604 4/20 0.71
TSHR P16473 2/20 0.68
TP53 P04637 1/20 0.67
GLA P06280 1/20 0.67
CASP7 P55210 1/20 0.67
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
APOBEC3A P31941 1/20 0.63
APOBEC3G Q9HC16 1/20 0.63

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
SCHEMBL30585535 0.90 KDM4E (0.82) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL18825288 0.90 KDM4E (0.82) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19681157 0.85 KDM4E (0.74) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19681163 0.84 KDM4E (0.72) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19681002 0.79 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19681211 0.79 KDM4E (0.81) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19681016 0.76 MAPT (0.82) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19681145 0.74 KDM4E (0.71) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL18844000 0.74 KDM4E (0.60) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19680983 0.74 KDM4E (0.74) KDM4EMAPTALDH1A1HPGDMAPK1

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 1844/4885ALDH1A1 4735/4885
US-20170349571-A1 POSITIVE ALLOSTERIC MODULATORS OF HUMAN MELANOCORTIN-4 RECEPTOR MC4R, MC1R, MC3R KDM4E 932/4885MAPT 1844/4885ALDH1A1 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.