SCHEMBL21553970

SCHEMBL21553970

N[C@@H](CCSC[C@H]1OC(n2cnc3c(NC(=O)CCNC(=O)CCCCC4SC[C@@H]5NC(=O)N[C@H]45)ncnc32)C(O)[C@@H]1O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 13/20 0.58
PRMT1 Q99873 2/20 0.56
HINT1 P49773 1/20 0.56
DNMT3B Q9UBC3 5/20 0.54
DNMT1 P26358 4/20 0.54
CARM1 Q86X55 2/20 0.52
EHMT2 Q96KQ7 2/20 0.52
TRDMT1 O14717 1/20 0.52
PRMT5 O14744 1/20 0.52
SUV39H1 O43463 1/20 0.52
PRMT3 O60678 1/20 0.52
INMT O95050 1/20 0.52
NSD2 O96028 1/20 0.52
PNMT P11086 1/20 0.52
NNMT P40261 1/20 0.52
HNMT P50135 1/20 0.52
WDR5 P61964 1/20 0.52
KMT2A Q03164 1/20 0.52
SETDB1 Q15047 1/20 0.52
RBBP5 Q15291 1/20 0.52

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
SCHEMBL21553884 0.97 DOT1L (0.59) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL25899485 0.96 DOT1L (0.61) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL21553891 0.96 DOT1L (0.61) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL21553885 0.86 HINT1 (0.64) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL25899392 0.85 HINT1 (0.53) DOT1LHINT1
SCHEMBL25899380 0.84 DOT1L (0.57) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL30520257 0.83 HINT1 (0.63) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL21528355 0.83 HINT1 (0.63) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL18119941 0.83 HINT1 (0.63) DOT1LPRMT1HINT1DNMT3BDNMT1
SCHEMBL21553922 0.83 HINT1 (0.56) DOT1LHINT1

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-20190339283-A1 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS HAO, XIUJUAN 2019-11-07 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-20190339283-A1 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS AHCY, MMAB, ESD DOT1L 2494/4885PRMT1 655/4885HINT1 244/4885

“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.