SCHEMBL10693709

SCHEMBL10693709

CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
PRKCA P17252 3/20 0.45
HRAS P01112 6/20 0.44
ESR1 P03372 6/20 0.44
ESR2 Q92731 6/20 0.44
TOP1 P11387 2/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
EP300 Q09472 1/20 0.39
NPC1 O15118 1/20 0.39
PARP1 P09874 1/20 0.38
NAMPT P43490 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL1844965 1.00 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL10690267 1.00 HDAC1 (0.51) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL26643297 0.92 HDAC1 (0.50) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1842219 0.92 HDAC1 (0.48) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1844640 0.92 TMEM97 (0.46) HDAC1HDAC2HDAC8KDM4EPOLB
SCHEMBL1843769 0.91 HDAC1 (0.47) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1841707 0.91 HDAC1 (0.49) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL2073218 0.91 HDAC1 (0.63) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL1842154 0.91 HDAC1 (0.48) HDAC1HDAC2HDAC8PRKCAHRAS
SCHEMBL26374814 0.90 HRAS (0.47) HDAC1HDAC2HDAC8PRKCAHRAS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
US-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 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-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR HDAC1 797/4885HDAC2 999/4885HDAC8 947/4885

“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.