Sugi Predict

Sugi Predict / Compounds / SCHEMBL3352053

SCHEMBL3352053

SCHEMBL3352053

NC(=O)c1ccc2c(c1)SNC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LCK P06239 1/20 0.37
▸ PRF1 P14222 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ PARP1 P09874 5/20 0.35
▸ HSD17B3 P37058 1/20 0.35
▸ TDP2 O95551 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP16 Q8N5Y8 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PARP4 Q9UKK3 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL3355749 0.86 KDM1A (0.39) KDM1ATSHRLCKPRF1ALDH1A1
SCHEMBL2586241 0.74 RYR2 (0.50) KDM1ATSHRLCKPRF1
SCHEMBL14333786 0.71 KDM1A (0.45) KDM1ATSHRLCKALDH1A1KDM4E
SCHEMBL3348087 0.70 KDM1A (0.43) KDM1ATSHRLCKALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30604572 0.69 KDM1A (0.44) KDM1ATSHRLCKALDH1A1KDM4E
SCHEMBL21168435 0.67 HSD17B3 (0.55) KDM1ATSHRLCKALDH1A1KDM4E
SCHEMBL3258866 0.67 CTPS1 (0.36) ALDH1A1KDM4EHSD17B10SIRT2KMT2A
SCHEMBL7681194 0.67 ALDH1A1 (0.44) KDM1ATSHRALDH1A1KDM4EHSD17B10
SCHEMBL11010368 0.67 HSD17B3 (0.48) KDM1ATSHRALDH1A1HSD17B10SIRT2
SCHEMBL3353505 0.67 SIRT2 (0.42) KDM1ATSHRLCKALDH1A1KDM4E

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-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — 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-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP KDM1A 4199/4885TSHR 2085/4885LCK 4627/4885

“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.