SCHEMBL2126086

SCHEMBL2126086

C=CCSc1c[nH]nc1SCC=C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL11465894 0.77 RAB9A (0.38) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7713820 0.73 HPGD (0.49) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10965679 0.69 SMN1; SMN2 (0.40) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2126638 0.68 — —
SCHEMBL2121934 0.68 PKM (0.49) HPGDSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL7152688 0.67 — —
SCHEMBL8770615 0.67 ALDH1A1 (0.40) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7073692 0.64 MEN1 (0.38) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10351891 0.63 MEN1 (0.48) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8840907 0.63 ALDH1A1 (0.36) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 — — US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 — — US disclosed
US-8586606-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2013-11-19 — — US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 — — US disclosed
US-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 — — US disclosed
EP-2150543-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS Solvay Pharmaceuticals B.V. (NL) 2010-02-10 — — EP disclosed
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors ABBVIE B.V. (NL) 2009-01-15 — — US disclosed
WO-2008129054-A2 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-10-30 — — 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 (3 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-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 HPGD 695/4885SMN1; SMN2 3396/4885NPC1 888/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 HPGD 493/4885SMN1; SMN2 2986/4885NPC1 1638/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 HPGD 2347/4885SMN1; SMN2 3553/4885NPC1 901/4885

“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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