SCHEMBL7125320

SCHEMBL7125320

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

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.83
ESR1 P03372 13/20 0.83
ESR2 Q92731 13/20 0.83
TOP1 P11387 2/20 0.83
KDM4E B2RXH2 1/20 0.81
POLB P06746 1/20 0.81
MAPT P10636 1/20 0.81
HIF1A Q16665 1/20 0.81
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HPSE Q9Y251 1/20 0.35
PKM P14618 1/20 0.34

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
Stallimycin SCHEMBL108585 0.91 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL14002814 0.91 HRAS (1.00) HRASESR1ESR2TOP1KDM4E
Stallimycin SCHEMBL193003 0.90 KDM4E (1.00) HRASESR1ESR2TOP1KDM4E
SCHEMBL6499316 0.89 HRAS (0.77) HRASESR1ESR2TOP1KDM4E
SCHEMBL7123738 0.89 HRAS (0.77) HRASESR1ESR2TOP1KDM4E
SCHEMBL21277951 0.86 HRAS (0.63) HRASESR1ESR2TOP1KDM4E
SCHEMBL16469479 0.85 HRAS (0.61) HRASESR1ESR2TOP1KDM4E
SCHEMBL8442693 0.85 HRAS (0.62) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6175427 0.84 KDM4E (0.62) HRASESR1ESR2TOP1KDM4E
SCHEMBL5746730 0.83 HRAS (0.68) HRASESR1ESR2TOP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2836494-B1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-21 EP disclosed
US-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. 2003-01-30 US disclosed
EP-0915845-B1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN SPA (IT) 2001-09-12 EP disclosed
US-6165980-A Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-12-26 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-20030023031-A1 Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents EIF2AK2, ACR, EIF4A1 HRAS 399/4885ESR1 3985/4885ESR2 3455/4885

“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.