SCHEMBL6701308

SCHEMBL6701308

N=C(NCc1cccc2ccccc12)NC(=O)N1CCCC(C(N)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 3/20 0.45
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MC4R P32245 2/20 0.42
MC1R Q01726 2/20 0.42
MC3R P41968 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.41
DPP4 P27487 2/20 0.41

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
SCHEMBL6699343 0.88 EPHX2 (0.47) KDM4EHSD17B10KMT2AMEN1LMNA
SCHEMBL6989152 0.77 FAAH (0.54) KDM4EHSD17B10KMT2AMEN1LMNA
SCHEMBL6698803 0.76 FAAH (0.47) KMT2AMEN1P2RX7
SCHEMBL14703433 0.76 MEN1 (0.43) KMT2AMEN1P2RX7TSHR
SCHEMBL6990296 0.76 FAAH (0.55) KDM4EHSD17B10KMT2AMEN1LMNA
SCHEMBL6698763 0.76 MEN1 (0.61) KMT2AMEN1
SCHEMBL13873878 0.75 EPHX2 (0.72) KDM4EHSD17B10KMT2AMEN1P2RX7
SCHEMBL5737566 0.73 P2RX7 (0.55) KMT2AMEN1P2RX7ALDH1A1MC4R
SCHEMBL6694717 0.73 KDM4E (0.60) KDM4EHSD17B10KMT2AMEN1LMNA
SCHEMBL6695899 0.73 KMT2A (0.61) KDM4EHSD17B10KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HONG YUFENG (US) 2004-03-04 US disclosed
EP-1332127-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS Warner-Lambert Company LLC (US) 2003-08-06 EP disclosed
WO-2002036554-A2 AMIDINO-UREA SEROTONIN RECEPTOR LIGANDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND METHODS FOR THEIR SNYTHESIS WARNER-LAMBERT COMPANY LLC (US) 2002-05-10 WO 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-20040044037-A1 Amidino-urea serotonin receptor ligands and compositions, their pharmaceutical uses, and methods for their snythesis HTR7, HTR1A, HTR2C KDM4E 3900/4885HSD17B10 4099/4885KMT2A 4351/4885

“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.