SCHEMBL4085267

SCHEMBL4085267

CN(C(=O)O)c1ccsc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
BCAT2 O15382 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
DHODH Q02127 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL3907258 0.74 AXL (0.44) KMT2AMAPK1NPC1HPGDKDM4E
SCHEMBL1147544 0.71 MAPT (0.50) KMT2ATP53ALOX15MAPK1BCAT2
SCHEMBL5883327 0.71 TACR1 (0.54) KMT2ATP53BCAT2SMN1; SMN2HPGD
SCHEMBL28036792 0.70 KMT2A (0.50) KMT2ATP53ALOX15MAPK1BCAT2
SCHEMBL3316024 0.70 KMT2A (0.50) KMT2ATP53ALOX15MAPK1BCAT2
Hydrochloric Acid SCHEMBL5883686 0.69 TACR1 (0.52) KMT2ATP53BCAT2SMN1; SMN2HPGD
SCHEMBL11125203 0.68 CSNK2A2 (0.42)
SCHEMBL11508564 0.67 GAA (0.54) KMT2ATP53MAPK1SMN1; SMN2NPC1
SCHEMBL6469191 0.67 CXCR2 (0.44) TP53ALOX15SMN1; SMN2NPC1HPGD
SCHEMBL6623848 0.67 BCAT2 (0.55) KMT2ATP53ALOX15MAPK1BCAT2

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
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 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 (2 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 KMT2A 1495/4885TP53 2107/4885ALOX15 4702/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 KMT2A 1241/4885TP53 2111/4885ALOX15 4711/4885

“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.