SCHEMBL15948347

SCHEMBL15948347

CS(=O)(=O)CCNC(=O)CCCOc1ccc(C(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NR3C1 P04150 1/20 0.36

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
SCHEMBL15946473 0.95 GPR35 (0.39) HPGDMEN1KMT2ASIRT3SMN1; SMN2
SCHEMBL14821502 0.91 TAAR1 (0.40) HPGDMEN1KMT2ASIRT3SMN1; SMN2
SCHEMBL14821149 0.85 GPR35 (0.37) KMT2ASMN1; SMN2MAPTALDH1A1HTT
SCHEMBL14821139 0.82 TAAR1 (0.40) HPGDMEN1KMT2ASIRT3SMN1; SMN2
SCHEMBL15948351 0.82 TAAR1 (0.40) HPGDMEN1KMT2ASIRT3SMN1; SMN2
SCHEMBL14821007 0.82 HPGD (0.44) HPGDMEN1KMT2ASIRT3SMN1; SMN2
SCHEMBL14821477 0.81 PPARA (0.46) HPGDMEN1KMT2ASIRT3SMN1; SMN2
SCHEMBL15946472 0.81 HTT (0.36) HPGDSMN1; SMN2MAPTALDH1A1HTT
SCHEMBL15948337 0.81 POLB (0.48) HPGDSMN1; SMN2MAPTHTTLMNA
SCHEMBL14821114 0.81 PPARA (0.40) HPGDMEN1KMT2ASIRT3SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228419-A1 Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment DoubleHill GmbH (DE) 2014-08-14 — — 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-20140228419-A1 Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment IDH3A, IDH3B, IDH2 HPGD 3189/4885MEN1 2893/4885KMT2A 262/4885

“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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