SCHEMBL810828

SCHEMBL810828

CN(C)/C=N\c1nc(SCc2ccccc2)ncc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 5/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 5/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MBOAT4 Q96T53 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL810829 1.00 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL811552 0.83 MBOAT4 (0.44) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL811553 0.83 MBOAT4 (0.44) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL19851186 0.75 MBOAT4 (0.48) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL811481 0.74 ALDH1A1 (0.78) ALDH1A1GAAHSD17B10HPGDKDM4E
SCHEMBL19837371 0.71 GAA (0.50) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL19844894 0.71 GAA (0.47) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL19837372 0.71 GAA (0.50) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL810568 0.69 GAA (0.44) ALDH1A1GAAHSD17B10LMNAHPGD
SCHEMBL810569 0.69 GAA (0.44) ALDH1A1GAAHSD17B10LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885GAA 504/4885HSD17B10 1572/4885

“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.