SCHEMBL6487356

SCHEMBL6487356

Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5ccc(N(CCCl)CCCl)cc5)cn4C)cn3C)cn2C)cc1C(=O)NCCNC(=N)N

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRAS P01112 13/20 0.70
ESR1 P03372 13/20 0.70
ESR2 Q92731 13/20 0.70
TOP1 P11387 2/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
RAD52 P43351 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL8179064 1.00 HRAS (0.70) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL8227445 0.99 HRAS (0.70) HRASESR1ESR2TOP1KDM4E
SCHEMBL8188292 0.96 HRAS (0.66) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL8195067 0.96 HRAS (0.67) HRASESR1ESR2TOP1KDM4E
SCHEMBL6491193 0.93 HRAS (0.62) HRASESR1ESR2TOP1KDM4E
Tallimustine SCHEMBL62279 0.92 HRAS (0.82) HRASESR1ESR2TOP1KDM4E
Tallimustine SCHEMBL1230144 0.91 HRAS (0.82) HRASESR1ESR2TOP1KDM4E
SCHEMBL14102116 0.91 HRAS (0.80) HRASESR1ESR2TOP1KDM4E
SCHEMBL8189385 0.90 HRAS (0.71) HRASESR1ESR2TOP1KDM4E
SCHEMBL8193689 0.88 HRAS (0.77) 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
US-6951951-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-10-04 US claimed
US-20040082759-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US claimed
US-6951951-B2 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2005-10-04 US disclosed
US-20040082759-A1 Process for preparing distamycin derivatives PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 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-20040082759-A1 Process for preparing distamycin derivatives GSTP1, GSTA1, GSS HRAS 15/4885ESR1 4086/4885ESR2 1721/4885

“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.