SCHEMBL14667476

SCHEMBL14667476

Nc1ccc(NC(=O)CSCCCOC2CCCCC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MITF O75030 1/20 0.40
▸ KLF5 Q13887 1/20 0.40
▸ KIT P10721 5/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK14 Q16539 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ LCK P06239 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL14667464 0.86 HPGD (0.51) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667443 0.81 MEN1 (0.38) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL15942871 0.81 LMNA (0.43) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL14667471 0.81 HDAC3 (0.44) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667445 0.80 USP2 (0.45) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667444 0.80 ALOX15 (0.45) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667516 0.79 HPGD (0.35) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667523 0.79 ALDH1A1 (0.37) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667531 0.78 ALDH1A1 (0.41) ALDH1A1HPGDMITFKLF5KMT2A
SCHEMBL14667495 0.78 HDAC3 (0.47) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1

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-8802448-B2 Mixed mode ligands PALL CORPORATION (US) 2014-08-12 — — US disclosed
US-20130030154-A1 MIXED MODE LIGANDS PALL CORPORATION (US) 2013-01-31 — — 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-20130030154-A1 MIXED MODE LIGANDS NCL, NECTIN4, NCLN ALDH1A1 3975/4885HPGD 3678/4885MITF 4107/4885

“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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