SCHEMBL26440477

SCHEMBL26440477

Cn1cc(NC(=O)c2nc(NC(C)(C)C)cn2C)cc1C(=O)Nc1cc(C(=O)C(C)(C)C)n(C)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HRAS P01112 4/20 0.38
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ TOP1 P11387 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HPSE Q9Y251 5/20 0.36
▸ ERBB2 P04626 4/20 0.34
▸ P2RY12 Q9H244 1/20 0.33
▸ RPS6KA2 Q15349 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
SCHEMBL20796574 0.98 HDAC1 (0.42) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL20796134 0.87 HDAC1 (0.44) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL19636637 0.84 TOP1 (0.41) HRASESR1ESR2TOP1KDM4E
SCHEMBL26440371 0.84 HDAC1 (0.41) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL19636634 0.78 HRAS (0.36) HRASESR1ESR2TOP1KDM4E
SCHEMBL10110776 0.77 RPS6KA2 (0.31) RPS6KA2
SCHEMBL25857771 0.76 HDAC1 (0.46) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL19636927 0.76 HDAC1 (0.46) HDAC1HDAC2HDAC8HRASESR1
SCHEMBL10110767 0.76 AR (0.35) HRASESR1ESR2TOP1HPSE
SCHEMBL22363485 0.75 HDAC1 (0.47) HDAC1HDAC2HDAC8HRASESR1

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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — 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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 HDAC1 1552/4885HDAC2 1086/4885HDAC8 1034/4885

“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.

Send feedback