SCHEMBL6631318

SCHEMBL6631318

O=C(NCCc1cccs1)c1cc2sc(Cl)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
TAAR1 Q96RJ0 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
PYGL P06737 1/20 0.46
CYP1A2 P05177 1/20 0.46
BRD4 O60885 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SNCA P37840 1/20 0.41
PSMD14 O00487 1/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40

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
SCHEMBL6630739 0.81 PYGL (0.53) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL6634840 0.80 NPC1 (0.56) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL30175948 0.79 KDM4E (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6632773 0.78 CNR1 (0.50) NPC1RAB9ASMN1; SMN2PYGLALDH1A1
SCHEMBL2606804 0.77 NPC1 (0.50) NPC1RAB9ATAAR1LMNASMN1; SMN2
SCHEMBL6629283 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2PYGLHPGD
SCHEMBL6633192 0.75 NPC1 (0.51) NPC1RAB9ALMNASMN1; SMN2PYGL
SCHEMBL6632052 0.75 HRH4 (0.48) NPC1RAB9ASMN1; SMN2PYGLHRH4
SCHEMBL6631621 0.73 PYGL (0.53) NPC1RAB9ASMN1; SMN2PYGLHRH4
SCHEMBL5341390 0.71 NPC1 (0.77) NPC1RAB9ATAAR1LMNASMN1; 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
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP claimed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US claimed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL NPC1 3131/4885RAB9A 3130/4885TAAR1 2703/4885

“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.