SCHEMBL3338533

SCHEMBL3338533

[c]1ccccc1Cc1nccn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.51
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AB1 P08238 1/20 0.41
HSP90B1 P14625 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
KLKB1 P03952 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL1723554 0.81 HSP90AA1 (0.57) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
Hydrochloric Acid SCHEMBL4053167 0.80 HSP90AA1 (0.56) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL3338535 0.79 HSP90AA1 (0.50) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL10615885 0.77 HSP90AA1 (0.68) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL2397794 0.75 HSP90AA1 (0.62) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL955143 0.75 HSP90AA1 (0.57) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL5292839 0.74 HSP90AA1 (0.61) HSP90AA1HSD17B10HSP90AB1HSP90B1AGTR1
SCHEMBL27389591 0.74 HSP90AA1 (0.61) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL11449438 0.74 HSP90AA1 (0.65) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1
SCHEMBL661488 0.74 HSP90AA1 (0.61) HSP90AA1ALDH1A1HSD17B10HSP90AB1HSP90B1

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 3 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

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 HSP90AA1 4786/4885ALDH1A1 2107/4885HSD17B10 934/4885

“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.