SCHEMBL5745871

SCHEMBL5745871

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.62
HRAS P01112 1/20 0.62
ESR1 P03372 1/20 0.62
ESR2 Q92731 1/20 0.62
POLB P06746 3/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
HIF1A Q16665 1/20 0.61
P2RY12 Q9H244 1/20 0.38
HPSE Q9Y251 3/20 0.37
TDP1 Q9NUW8 2/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
TP53 P04637 1/20 0.34
CREBBP Q92793 1/20 0.34
THRB P10828 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5749627 1.00 TOP1 (0.62) TOP1HRASESR1ESR2POLB
SCHEMBL4855585 0.91 HRAS (0.50) TOP1HRASESR1ESR2POLB
SCHEMBL5748174 0.88 TOP1 (0.62) TOP1HRASESR1ESR2POLB
SCHEMBL14002822 0.88 TOP1 (0.62) TOP1HRASESR1ESR2POLB
SCHEMBL5746730 0.87 HRAS (0.68) TOP1HRASESR1ESR2POLB
SCHEMBL5746729 0.87 HRAS (0.65) TOP1HRASESR1ESR2POLB
SCHEMBL5746639 0.87 HRAS (0.68) TOP1HRASESR1ESR2POLB
SCHEMBL5746633 0.87 HRAS (0.65) TOP1HRASESR1ESR2POLB
SCHEMBL14535121 0.84 TOP1 (0.45) TOP1HRASESR1ESR2POLB
SCHEMBL14181025 0.83 TOP1 (0.44) TOP1HRASESR1ESR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350145-B1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL UNIV TEXAS (US) 2020-09-16 EP disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-06 US disclosed
WO-2017049091-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-23 WO disclosed
EP-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP 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 (2 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-10358439-B2 DNA binding agents with a minor groove binding tail TOP2B, TOP2A, TOP1 TOP1 3/4885HRAS 987/4885ESR1 4452/4885
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL TOP2B, TOP2A, TOP1 TOP1 3/4885HRAS 987/4885ESR1 4452/4885

“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.