SCHEMBL17577320

SCHEMBL17577320

CC(=O)Nc1cc(C(=O)NCCC(=N)N)n(C)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.73
ESR1 P03372 13/20 0.73
ESR2 Q92731 13/20 0.73
TOP1 P11387 2/20 0.73
POLB P06746 2/20 0.71
KDM4E B2RXH2 1/20 0.71
MAPT P10636 1/20 0.71
HIF1A Q16665 1/20 0.71
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PKM P14618 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL30469493 0.89 HRAS (0.79) HRASESR1ESR2TOP1POLB
SCHEMBL14002809 0.87 HRAS (0.69) HRASESR1ESR2TOP1POLB
SCHEMBL7510361 0.86 HRAS (0.76) HRASESR1ESR2TOP1POLB
Hydrochloric Acid SCHEMBL6548715 0.85 KDM4E (0.76) HRASESR1ESR2TOP1POLB
SCHEMBL29394871 0.85 HRAS (0.78) HRASESR1ESR2TOP1POLB
Hydrochloric Acid SCHEMBL10688614 0.85 KDM4E (0.76) HRASESR1ESR2TOP1POLB
Hydrochloric Acid SCHEMBL9124388 0.85 KDM4E (0.76) HRASESR1ESR2TOP1POLB
SCHEMBL12348338 0.85 TOP1 (0.70) HRASESR1ESR2TOP1POLB
SCHEMBL5889511 0.84 HRAS (0.69) HRASESR1ESR2TOP1POLB
Stallimycin SCHEMBL108585 0.84 HRAS (1.00) HRASESR1ESR2TOP1POLB

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-20160068485-A1 COMPOUNDS FOR USE AS BROMODOMAIN INHIBITORS ALBERT LUDWIGS UNIVERSITÄT FREIBURG (DE) 2016-03-10 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-20160068485-A1 COMPOUNDS FOR USE AS BROMODOMAIN INHIBITORS BRD1, BRDT, BRD4 HRAS 276/4885ESR1 2899/4885ESR2 1785/4885

“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.