SCHEMBL21709336

SCHEMBL21709336

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4c3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL21709416 0.94 MEN1 (0.33) MEN1KMT2AATM
SCHEMBL21709224 0.93 ALOX5 (0.34) ALOX5MEN1KMT2AATM
SCHEMBL21709472 0.93 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL21709228 0.91 ALOX5 (0.33) ALOX5MEN1KMT2AATM
SCHEMBL21709483 0.91 KMT2A (0.38) ALOX5MEN1KMT2AATM
SCHEMBL21709469 0.91 KMT2A (0.38) ALOX5MEN1KMT2AATM
SCHEMBL21709314 0.91 KMT2A (0.37) ALOX5MEN1KMT2AATM
SCHEMBL21709309 0.90 NUDT1 (0.31) MEN1KMT2AATM
SCHEMBL21709383 0.90 MEN1 (0.38) MEN1KMT2AATM
SCHEMBL21709293 0.89 NUDT1 (0.31) MEN1KMT2AATM

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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES MERCK PATENT GMBH (DE) 2020-02-13 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-20200048207-A1 COMPOUNDS WITH ARYLAMINE STRUCTURES DDT, NAT1, INMT ALOX5 3104/4885MEN1 2014/4885KMT2A 242/4885

“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.