SCHEMBL6703871

SCHEMBL6703871

CC(=O)NCCNC(=O)NC(=N)NCc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MTNR1A P48039 8/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NQO2 P16083 4/20 0.46
MTNR1B P49286 6/20 0.46
ANPEP P15144 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
BCHE P06276 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
SCHEMBL6702035 0.86 KMT2A (0.55) MTNR1AMEN1MAPTKMT2AKDM4E
SCHEMBL6703743 0.85 MEN1 (0.51) CA12CA4CA7CA9CA14
SCHEMBL6702001 0.84 MTNR1A (0.59) MTNR1AMEN1MAPTKMT2AKDM4E
SCHEMBL6702167 0.83 TDP1 (0.53) MTNR1AMEN1MAPTKMT2AKDM4E
SCHEMBL6697457 0.82 KMT2A (0.62) CA12CA9MTNR1AMEN1MAPT
SCHEMBL6700488 0.82 KMT2A (0.51) MTNR1AMEN1MAPTKMT2AKDM4E
SCHEMBL6702025 0.82 KMT2A (0.51) MTNR1AMEN1MAPTKMT2AKDM4E
SCHEMBL5999001 0.82 NQO2 (0.62) CA12CA4CA7CA9CA14
SCHEMBL6703764 0.81 MTNR1A (0.50) CA12CA4CA9MTNR1AMEN1
SCHEMBL6864860 0.80 MTNR1A (0.51) CA12CA4CA9MTNR1AMEN1

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 CA12 4864/4885CA4 4862/4885CA7 3998/4885

“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.