SCHEMBL21709314

SCHEMBL21709314

CC1(C)c2ccccc2-c2c(N(c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
ALOX5 P09917 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
TSHR P16473 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM1A O60341 1/20 0.32
GLA P06280 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL21709469 0.99 KMT2A (0.38) KMT2AMEN1ATMALOX5LMNA
SCHEMBL21709483 0.99 KMT2A (0.38) KMT2AMEN1ATMALOX5LMNA
SCHEMBL21709479 0.95 KMT2A (0.37) KMT2AMEN1ATMLMNAMAPT
SCHEMBL21709224 0.94 ALOX5 (0.34) KMT2AMEN1ATMALOX5PDK1
SCHEMBL21709228 0.94 ALOX5 (0.33) KMT2AMEN1ATMALOX5MAPT
SCHEMBL21709332 0.94 KMT2A (0.38) KMT2AMEN1ATMALOX5LMNA
SCHEMBL21709472 0.91 MEN1 (0.32) KMT2AMEN1ATM
SCHEMBL21709271 0.91 CYP1A2 (0.39) KMT2AMEN1ALOX5LMNAMAPT
SCHEMBL21709369 0.91 NUDT1 (0.36) ALOX5
SCHEMBL21709321 0.89 MEN1 (0.45) KMT2AMEN1ATMLMNAMAPT

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 KMT2A 242/4885MEN1 2014/4885ATM 3544/4885

“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.