SCHEMBL20828262

SCHEMBL20828262

Cc1cccc(Cc2[nH]c(=S)[nH]c(=O)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ NR3C1 P04150 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CCNE2 O96020 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
SCHEMBL20828261 0.84 L3MBTL1 (0.51) DAOL3MBTL1ALDH1A1SIRT1KMT2A
SCHEMBL20828264 0.79 ALDH1A1 (0.59) DAOKDM4EALDH1A1NR3C1SIRT1
SCHEMBL11458528 0.75 DAO (0.47) DAOKDM4EKMT2A
SCHEMBL5907147 0.75 L3MBTL1 (0.47) DAOKDM4EL3MBTL1ALDH1A1MMP2
SCHEMBL30000562 0.69 TAAR1 (0.60) DAOALDH1A1TAAR1
SCHEMBL1263547 0.69 TAAR1 (0.60) DAOALDH1A1TAAR1
SCHEMBL29459538 0.69 TAAR1 (0.60) DAOALDH1A1TAAR1
SCHEMBL11733305 0.68 L3MBTL1 (0.63) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13932156 0.67 HTT (0.56) DAOKDM4EALDH1A1MEN1KMT2A
SCHEMBL21331828 0.67 ALDH1A1 (0.49) KDM4EL3MBTL1ALDH1A1SIRT1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270216-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-27 — — US disclosed
WO-2019055832-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-21 — — WO 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-20200270216-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 SMN1; SMN2, PSEN2, SMPD2 DAO 1960/4885KDM4E 3643/4885L3MBTL1 2749/4885

“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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