SCHEMBL18462015

SCHEMBL18462015

CC(C)(C)NSc1cccc2nsnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL12403886 0.72 MAPT (0.49) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL3439599 0.69 MAPT (0.57) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL15305883 0.69 MEN1 (0.46) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL21895251 0.67 KDM4E (0.48) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL11156546 0.67 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL762283 0.66 MAPT (0.57) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL14661398 0.66 KDM4E (0.57) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL13866406 0.66 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL12775851 0.66 KDM4E (0.47) ALDH1A1MAPTKDM4EHIF1AHSD17B10
SCHEMBL198065 0.65 MAPT (0.61) ALDH1A1MAPTKDM4EHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307428-B2 Therapeutic compositions for diabetic symmetrical polyneuropathy UNIVERSITY HEALTH NETWORK (CA) 2019-06-04 — — US disclosed
US-20190046540-A1 TREATMENTS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY UNIVERSITY HEALTH NETWORK (CA) 2019-02-14 — — US disclosed
US-20170027957-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-02 — — 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 (3 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-20170027957-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF PERIPHERAL NEUROPATHIES PMP22, CHRNA7, CHRNB3 ALDH1A1 4187/4885MAPT 1835/4885KDM4E 4076/4885
US-20190046540-A1 TREATMENTS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY CHRNA5, CHRM2, CHRNE ALDH1A1 4092/4885MAPT 592/4885KDM4E 3603/4885
US-10307428-B2 Therapeutic compositions for diabetic symmetrical polyneuropathy CHRNA5, CHRM2, GAP43 ALDH1A1 4253/4885MAPT 397/4885KDM4E 3675/4885

“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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