SCHEMBL15726678

SCHEMBL15726678

COc1ccc(CNC(=O)c2ccc(Cl)c([S+]([O-])Nc3ccccc3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ PPARG P37231 4/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ EPHX2 P34913 2/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ CXCR3 P49682 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ LMNA P02545 1/20 0.47

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
SCHEMBL13186474 0.78 MAPT (0.60) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL5331526 0.75 MMP13 (0.74) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL2526264 0.74 NPC1 (0.83) NPC1RAB9APPARGMEN1KMT2A
SCHEMBL2918147 0.74 NPC1 (0.83) NPC1RAB9APPARGMEN1KMT2A
SCHEMBL5335143 0.74 CYP1A2 (0.66) NPC1RAB9APPARGNR1H4L3MBTL1
SCHEMBL5335138 0.74 CYP1A2 (0.66) NPC1RAB9APPARGNR1H4L3MBTL1
SCHEMBL5331977 0.73 MMP13 (0.76) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL11761142 0.73 NPC1 (0.82) NPC1RAB9APPARGMEN1KMT2A
SCHEMBL9416606 0.73 NPC1 (0.82) NPC1RAB9APPARGMEN1KMT2A
SCHEMBL23984534 0.72 HPGD (0.67) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1

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-9198914-B2 Methods and compositions for modulating RAD51 and homologous recombination THE UNIVERSITY OF CHICAGO (US) 2015-12-01 — — US disclosed
US-20140142103-A1 Methods and Compositions for Modulating Rad51 and Homologous Recombination THE UNIVERSITY OF CHICAGO (US) 2014-05-22 — — 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-20140142103-A1 Methods and Compositions for Modulating Rad51 and Homologous Recombination RAD51, MRE11, RAD50 NPC1 4834/4885RAB9A 2759/4885PPARG 2924/4885

“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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