SCHEMBL9986895

SCHEMBL9986895

COc1cc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(Cl)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ RAC1 P63000 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ACACA Q13085 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ WHR1 P49842 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL9986686 0.93 MEN1 (0.51) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL9986982 0.93 MEN1 (0.51) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL12072009 0.89 CTDSP1 (0.46) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL147237 0.84 RAC1 (0.68) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL12070505 0.83 RAD52 (0.53) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL14927078 0.81 L3MBTL1 (0.47) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL12072698 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL14927043 0.80 FYN (0.42) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL12071506 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDLMNAMEN1KMT2A
SCHEMBL12070583 0.80 RAC1 (0.49) SMN1; SMN2HPGDLMNAMEN1KMT2A

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 8 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-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
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-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
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 SMN1; SMN2 3496/4885HPGD 4277/4885LMNA 4243/4885

“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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