SCHEMBL16872898

SCHEMBL16872898

CCN(CC)CCCn1c(=S)[nH]c2cc(C(=O)NC)ccc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.80
▸ RECQL P46063 2/20 0.71
▸ GAA P10253 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ KDM4E B2RXH2 3/20 0.61
▸ GLA P06280 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ MAPT P10636 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TSHR P16473 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HPGD P15428 1/20 0.58
▸ RXFP1 Q9HBX9 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL19665251 0.89 MPO (0.67) ALDH1A1RECQLGAAMEN1KMT2A
SCHEMBL15613189 0.89 ALDH1A1 (1.00) ALDH1A1RECQLGAAMEN1KMT2A
SCHEMBL15506189 0.77 GAA (0.65) ALDH1A1RECQLGAAMEN1KMT2A
SCHEMBL19400401 0.74 GAA (0.66) ALDH1A1RECQLGAAMEN1KMT2A
SCHEMBL5652363 0.72 SMN1; SMN2 (0.76) ALDH1A1RECQLGAAKMT2AKDM4E
SCHEMBL2731374 0.71 MPO (1.00) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL15613371 0.70 ALDH1A1 (0.95) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL2731410 0.70 MPO (1.00) ALDH1A1MEN1KMT2ATSHRRXFP1
SCHEMBL23201147 0.69 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL30882314 0.69 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2AKDM4E

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-9775835-B2 Small molecule inhibitors of viral protein interactions with human t-RNA SIRGA ADVANCED BIOPHARMA, INC. (US) 2017-10-03 — — US disclosed
US-20150190384-A1 SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA SIRGA ADVANCED BIOPHARMA, INC. (US) 2015-07-09 — — 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-20150190384-A1 SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA NSUN3, TARBP1, TRDMT1 ALDH1A1 4753/4885RECQL 981/4885GAA 2044/4885

“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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