SCHEMBL6704795

SCHEMBL6704795

N=C(NCc1cccc2ccccc12)NC(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
P2RX7 Q99572 1/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
TGM2 P21980 1/20 0.44
MTNR1A P48039 1/20 0.44
HPGD P15428 1/20 0.43
ANPEP P15144 1/20 0.43
BCHE P06276 1/20 0.43
CA2 P00918 1/20 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
SCHEMBL6694713 0.86 SIGMAR1 (0.70) KMT2ASIGMAR1
SCHEMBL6700050 0.83 MEN1 (0.45) MEN1MAPTKMT2AEPHX1P2RX7
SCHEMBL6701300 0.82 KDM4E (0.52) MEN1MAPTKMT2AEPHX1P2RX7
SCHEMBL6702001 0.81 MTNR1A (0.59) MEN1MAPTKMT2AP2RX7CHRNB2
SCHEMBL6704247 0.80 ALDH1A1 (0.61) MEN1KMT2AEPHX1HPGD
SCHEMBL6698788 0.79 MEN1 (0.45) MEN1MAPTKMT2AP2RX7CHRNB2
SCHEMBL6698864 0.79 MEN1 (0.43) MEN1MAPTKMT2AP2RX7CHRNB2
SCHEMBL6702035 0.78 KMT2A (0.55) MEN1MAPTKMT2AP2RX7CHRNB2
SCHEMBL6698878 0.78 MEN1 (0.44) MEN1MAPTKMT2AEPHX1P2RX7
SCHEMBL2751955 0.78 SIGMAR1 (0.70) MEN1KMT2AEPHX1SIGMAR1HPGD

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 MEN1 3611/4885MAPT 2819/4885KMT2A 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.