SCHEMBL3336342

SCHEMBL3336342

O=C(OCc1ccncc1)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
PDK1 Q15118 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3331879 0.86 GAA (0.61) GAATSHRALDH1A1NPC1GLA
SCHEMBL13557853 0.84 POLB (0.54) GAAPOLBALDH1A1PAX8MAPT
SCHEMBL25920678 0.83 ALDH1A1 (0.48) ALDH1A1NPC1GLAHTTRAB9A
SCHEMBL25920677 0.83 CNR2 (0.52) ALDH1A1NPC1GLAHTTRAB9A
SCHEMBL27480557 0.83 ALDH1A1 (0.48) ALDH1A1NPC1GLAHTTRAB9A
SCHEMBL10157089 0.82 TSPO (0.42) GAATSHRALDH1A1NPC1GLA
SCHEMBL10157569 0.82 GABRP (0.46) GAATSHRPOLBALDH1A1NPC1
SCHEMBL3331616 0.81 SMN1; SMN2 (0.50) GAATSHRPOLBALDH1A1NPC1
SCHEMBL25920560 0.80 ALDH1A1 (0.47) ALDH1A1NPC1GLAHTTRAB9A
SCHEMBL3332143 0.80 GAA (0.51) GAATSHRPDK1LMNAKMT2A

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-20100144801-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-06-10 US claimed
EP-2076261-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2009-07-08 EP claimed
WO-2008041184-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-04-10 WO claimed
US-20100144801-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-06-10 US disclosed
EP-2076261-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2009-07-08 EP disclosed
WO-2008041184-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-04-10 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-20100144801-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 GAA 2893/4885TSHR 187/4885POLB 4258/4885

“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.