SCHEMBL14926980

SCHEMBL14926980

Nc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2cc(CO)c(CO)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ ADORA1 P30542 7/20 0.39
▸ ADORA2A P29274 7/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35
▸ NUDT1 P36639 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL127673 0.83 RAC1 (0.40) ADORA1MEN1KMT2ADHODHALDH1A1
SCHEMBL14926972 0.80 ESR1 (0.39) ADORA2AMEN1KMT2AL3MBTL1NUDT1
SCHEMBL14926977 0.80 SQOR (0.40) ADORA1ADORA2AMEN1KMT2APIM1
SCHEMBL14926975 0.78 ADORA3 (0.43) ADORA1MEN1KMT2AALDH1A1HPGD
SCHEMBL128848 0.76 RAC1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14926981 0.76 ADORA3 (0.49) ADORA1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL128040 0.75 RAC1 (0.44) MEN1KMT2ADHODHALDH1A1MAPT
SCHEMBL12070505 0.74 RAD52 (0.53) ADORA1ADORA2AMEN1KMT2AALDH1A1
SCHEMBL14926974 0.74 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTHPGDKDM4E
SCHEMBL14926976 0.73 TLR9 (0.52) MEN1KMT2APIM1SMARCA2ALDH1A1

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 2 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

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 ACHE 2854/4885ADORA1 357/4885ADORA2A 2497/4885

“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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