SCHEMBL16469479

SCHEMBL16469479

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRAS P01112 14/20 0.61
ESR1 P03372 13/20 0.61
ESR2 Q92731 13/20 0.61
TOP1 P11387 2/20 0.61
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HPSE Q9Y251 1/20 0.36

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
Hydrochloric Acid SCHEMBL6175427 0.99 KDM4E (0.62) HRASESR1ESR2TOP1KDM4E
SCHEMBL7510361 0.90 HRAS (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL9124388 0.89 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6548715 0.89 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL10688614 0.89 KDM4E (0.76) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6497712 0.89 KDM4E (0.59) HRASESR1ESR2TOP1KDM4E
SCHEMBL21277951 0.89 HRAS (0.63) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6777006 0.89 KDM4E (0.52) HRASESR1ESR2TOP1KDM4E
SCHEMBL14573086 0.88 HRAS (0.62) HRASESR1ESR2TOP1KDM4E
Hydrochloric Acid SCHEMBL6176662 0.87 KDM4E (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3587426-B1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2022-08-10 EP disclosed
EP-2836494-B1 NEW ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-21 EP disclosed
US-10071074-B2 Thieno-indole moieties and methods of treating using the same NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2018-09-11 US disclosed
US-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-16 US disclosed
US-9527863-B2 Thieno-indole moieties and methods of treating using the same NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-12-27 US disclosed
US-20150051154-A1 ALKYLATING AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-02-19 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 (3 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-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME INMT, TYMP, TOP1 HRAS 2418/4885ESR1 4458/4885ESR2 4559/4885
US-10071074-B2 Thieno-indole moieties and methods of treating using the same INMT, TOP2B, TOP1 HRAS 3423/4885ESR1 3302/4885ESR2 3066/4885
US-20150051154-A1 ALKYLATING AGENTS PCNA, TOP1, TYMP HRAS 1344/4885ESR1 4625/4885ESR2 4620/4885

“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.