SCHEMBL4953227

SCHEMBL4953227

CC(=O)Nc1sc(Cl)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.38
FSCN1 Q16658 1/20 0.38
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTK2 Q05397 1/20 0.33
ABL1 P00519 1/20 0.33
ERN1 O75460 1/20 0.33
LDHA P00338 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
SCHEMBL29546918 0.80 ATR (0.42)
SCHEMBL19494290 0.78 ERN1 (0.33) ALDH1A1ERN1
SCHEMBL3347731 0.74 DAO (0.53) HSD17B10GAAPKMALOX15ALDH1A1
SCHEMBL12299530 0.72 HSD17B10 (0.39) DYRK1AFSCN1HSD17B10GAAPKM
SCHEMBL16246345 0.72 MEN1 (0.59) HSD17B10ALOX15ALDH1A1MAPTSMN1; SMN2
SCHEMBL11578885 0.71 ALDH1A1 (0.44) HSD17B10GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL7976116 0.70 CA2 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19260372 0.69 ALDH1A1 (0.53) GAAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL23450058 0.68 ALDH1A1 (0.62) HSD17B10GAAPKMALOX15ALDH1A1
SCHEMBL19260400 0.68 ALDH1A1 (0.46) HSD17B10PKMALDH1A1MAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411074-B2 Process and intermediates for the preparation of the thienopyrrole derivatives ASTRAZENECA AB (SE) 2008-08-12 US disclosed
US-7411074-B2 Process and intermediates for the preparation of the thienopyrrole derivatives ASTRAZENECA AB (SE) 2008-08-12 US disclosed
US-7411074-B2 Process and intermediates for the preparation of the thienopyrrole derivatives ASTRAZENECA AB (SE) 2008-08-12 US disclosed
US-20060035953-A1 Cyclizing an N-carboxymethyl-N-alkanoyl-3-formyl-2-thiophenylamine and optionally amidating the product ASTRAZENECA AB (SE) 2006-02-16 US disclosed
EP-1549654-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF THIENOPYRROLE DERIVATIVES Astrazeneca AB (SE) 2005-07-06 EP disclosed
WO-2004031194-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF THE THIENOPYRROLE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-15 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-20060035953-A1 Cyclizing an N-carboxymethyl-N-alkanoyl-3-formyl-2-thiophenylamine and optionally amidating the product H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, ADCY7 DYRK1A 4574/4885FSCN1 1328/4885HSD17B10 1012/4885

“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.