SCHEMBL12070766

SCHEMBL12070766

COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(N=C(N)N)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACA Q13085 1/20 0.49
▸ PLAU P00749 2/20 0.46
▸ PLG P00747 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RAC1 P63000 4/20 0.45
▸ DHODH Q02127 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ AGTR1 P30556 1/20 0.43

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
SCHEMBL12070672 0.94 ACACA (0.47) ACACAPLAUPLGKDM4EALDH1A1
SCHEMBL14927013 0.84 PLAU (0.49) PLAUPLGKDM4EALDH1A1MEN1
SCHEMBL12070768 0.81 KDM4E (0.52) ACACAKDM4EALDH1A1HPGDMEN1
SCHEMBL147920 0.78 RAC1 (0.71) ACACAKDM4EALDH1A1HPGDMEN1
SCHEMBL9986006 0.78 KDM4E (0.56) ACACAKDM4EALDH1A1HPGDMEN1
SCHEMBL14927010 0.78 PLAU (0.47) PLAUPLGKDM4EALDH1A1MEN1
SCHEMBL9986982 0.77 MEN1 (0.51) ACACAKDM4EALDH1A1HPGDMEN1
SCHEMBL9986686 0.77 MEN1 (0.51) ACACAKDM4EALDH1A1HPGDMEN1
SCHEMBL215619 0.77 RAC1 (0.73) ACACAKDM4EALDH1A1HPGDMEN1
SCHEMBL9986211 0.77 RAC1 (0.48) ACACAKDM4EALDH1A1HPGDMEN1

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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 ACACA 4805/4885PLAU 4639/4885PLG 4846/4885

“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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