SCHEMBL3047822

SCHEMBL3047822

CCOC(=O)c1csc(Nc2ccc(C)c(OCC=C(C)C)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.49
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
EGFR P00533 1/20 0.46
RAB9A P51151 3/20 0.45
HSP90AA1 P07900 1/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL3034542 0.91 LMNA (0.56) ANO1CA12CA1CA2CA9
SCHEMBL3049538 0.84 SMN1; SMN2 (0.58) ANO1CA12CA1CA2CA9
SCHEMBL3042676 0.80 NLRP3 (0.48) LMNASMN1; SMN2MAPK1MAPTKDM4E
SCHEMBL5035870 0.80 LMNA (0.71) ANO1CA12CA1CA2CA9
SCHEMBL3045328 0.80 CA12 (0.55) CA12CA1CA2CA9LMNA
SCHEMBL5372832 0.79 AMY1A (0.46) L3MBTL1ALDH1A1
SCHEMBL21708021 0.76 MAPT (0.68) CA12CA1CA2CA9LMNA
SCHEMBL3049813 0.76 PLA2G7 (0.52) LMNASMN1; SMN2MAPK1KDM4ERAB9A
SCHEMBL2831045 0.75 L3MBTL1 (0.62) CA12CA1CA2CA9LMNA
SCHEMBL3038926 0.75 LMNA (0.64) ANO1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217597-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2010-08-18 EP claimed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
EP-2217597-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2010-08-18 EP disclosed
WO-2009046025-A1 QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS, INC. (US) 2009-04-09 WO disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 ANO1 4575/4885CA12 374/4885CA1 551/4885

“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.