SCHEMBL3338535

SCHEMBL3338535

[c]1ccc(Cc2nccn2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.50
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
FDPS P14324 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HSP90B1 P14625 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
TDP1 Q9NUW8 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 0.91 HSP90AA1 (0.57) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL4053167 0.89 HSP90AA1 (0.56) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL3403218 0.82 SMN1; SMN2 (0.52) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL30610947 0.81 CYP11B1 (0.48) HSP90AA1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1507873 0.81 CYP11B1 (0.48) HSP90AA1ALDH1A1MEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1507947 0.80 CYP11B1 (0.47) HSP90AA1ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3338533 0.79 HSP90AA1 (0.51) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL17790167 0.78 HSP90AA1 (0.52) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL1043466 0.77 HSP90AA1 (0.49) HSP90AA1ALDH1A1HSP90AB1HSP90B1OPRD1
SCHEMBL955143 0.77 HSP90AA1 (0.57) HSP90AA1HSD17B10ALDH1A1MEN1CYP1A2

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 4786/4885HSD17B10 934/4885ALDH1A1 2107/4885

“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.