SCHEMBL6695889

SCHEMBL6695889

CC(C)(CO)CNC(=O)NC(=N)NCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ANPEP P15144 1/20 0.43
MTNR1A P48039 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
VNN1 O95497 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 1/20 0.40
P2RX7 Q99572 1/20 0.40
GHSR Q92847 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL6702001 0.81 MTNR1A (0.59) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6702025 0.79 KMT2A (0.51) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6703743 0.79 MEN1 (0.51) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6703871 0.79 CA12 (0.52) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6700488 0.79 KMT2A (0.51) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6702035 0.78 KMT2A (0.55) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6699071 0.76 KMT2A (0.59) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6702167 0.75 TDP1 (0.53) KMT2AMEN1MAPTCHRNB2CHRNA4
SCHEMBL6696307 0.75 MEN1 (0.62) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL1709278 0.75 MEN1 (0.57) KMT2AMEN1MAPTCHRNB2CHRNA4

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 1 patent. 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

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 KMT2A 4351/4885MEN1 3611/4885MAPT 2819/4885

“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.