SCHEMBL637079

SCHEMBL637079

NC(=O)c1c[nH]c(=O)c2cc3ccccc3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAD52 P43351 2/20 0.37
▸ PKMYT1 Q99640 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PTBP1 P26599 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ MAPT P10636 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
SCHEMBL27624951 0.75 IKBKB (0.54) IKBKBKDM4EALDH1A1GAANCOA1
SCHEMBL27489867 0.74 IKBKB (0.53) IKBKBKDM4EALDH1A1GAANCOA1
SCHEMBL27450142 0.74 RAD52 (0.58) IKBKBKDM4EALDH1A1GAAATM
SCHEMBL17113903 0.73 ALDH1A1 (0.45) IKBKBKDM4EALDH1A1ATMNCOA1
SCHEMBL5201337 0.72 KDM4E (0.72) KDM4EALDH1A1ATMKMT2ALMNA
SCHEMBL31609554 0.72 KDM4E (0.72) KDM4EALDH1A1ATMKMT2ALMNA
SCHEMBL30661004 0.71 IKBKB (0.60) IKBKBKDM4EALDH1A1GAAGLA
SCHEMBL461849 0.71 IKBKB (0.60) IKBKBKDM4EALDH1A1GAAGLA
SCHEMBL154847 0.71 ALDH1A1 (0.64) IKBKBKDM4EALDH1A1GAANCOA1
SCHEMBL31430856 0.71 KDM4E (0.53) KDM4EALDH1A1ATMPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507778-B1 ANTI-TUMOUR POLYCYCLIC CARBOXAMIDES UNIV TROBE (AU) 2012-02-22 — — EP disclosed
US-7504507-B2 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2009-03-17 — — US disclosed
US-20050245561-A1 Anti-tumour polycyclic carboxamides AUCKLAND UNISERVICES LIMITED (NZ) 2005-11-03 — — 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-20050245561-A1 Anti-tumour polycyclic carboxamides MKI67, MCL1, CCNI IKBKB 238/4885KDM4E 880/4885ALDH1A1 649/4885

“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.

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