SCHEMBL1192767

SCHEMBL1192767

NC(=O)CCCOC(=O)c1ccc2ncsc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.58
▸ PKM P14618 1/20 0.58
▸ KDM4E B2RXH2 6/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ HKDC1 Q2TB90 1/20 0.54
▸ NTRK1 P04629 4/20 0.50
▸ NTRK2 Q16620 4/20 0.50
▸ USP2 O75604 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.48

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
SCHEMBL2665689 0.80 TDP1 (0.63) TDP1PKMKDM4EALDH1A1L3MBTL1
SCHEMBL18062419 0.78 NPC1 (0.66) TDP1PKMKDM4EALDH1A1L3MBTL1
SCHEMBL162869 0.76 NPC1 (0.72) TDP1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL21240899 0.75 KDM4E (0.64) TDP1PKMKDM4EALDH1A1L3MBTL1
SCHEMBL28327199 0.75 NPC1 (0.66) TDP1PKMKDM4EALDH1A1L3MBTL1
SCHEMBL507242 0.75 RAB9A (0.66) TDP1KDM4EALDH1A1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL6381967 0.74 NPC1 (0.70) TDP1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL13024512 0.73 KDM4E (0.51) TDP1PKMKDM4EALDH1A1L3MBTL1
SCHEMBL19900857 0.72 NPC1 (0.62) TDP1PKMKDM4EALDH1A1L3MBTL1
Azobenzene SCHEMBL11783356 0.71 TDP1 (0.52) TDP1PKMKDM4EALDH1A1L3MBTL1

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-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 — — 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-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 TDP1 887/4885PKM 1783/4885KDM4E 4433/4885

“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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