SCHEMBL12090340

SCHEMBL12090340

COc1ccc2c(CCC(=O)O)nn(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.47
▸ KMO O15229 1/20 0.46
▸ GPR17 Q13304 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ AR P10275 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42

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
SCHEMBL12090307 0.86 KDM4C (0.42) DYRK1AKDM4CALDH1A1HPGDKDM4E
SCHEMBL7658563 0.82 ALDH1A1 (0.43) POLBGAAALDH1A1HPGDHSD17B10
SCHEMBL12090346 0.82 KDM4C (0.44) DYRK1AKDM4CALDH1A1HTR3AHTT
SCHEMBL3036911 0.80 PPARG (0.56) DYRK1APOLBGPR17PPARGPPARD
SCHEMBL10271492 0.79 HASPIN (0.46) DYRK1AKDM4CALDH1A1HTR3A
SCHEMBL15229716 0.77 HDAC6 (0.52) POLBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4782808 0.76 HTR3A (0.55) DYRK1APOLBKDM4CGAAALDH1A1
SCHEMBL19872723 0.75 POLB (0.56) DYRK1APOLBKMOGPR17GAA
SCHEMBL20119990 0.74 PTGS1 (0.55) DYRK1APOLBKMOGPR17ALDH1A1
SCHEMBL3030572 0.72 PPARG (0.62) POLBPPARGPPARDPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 — — US 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 DYRK1A 1380/4885POLB 2992/4885KDM4C 4312/4885

“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.

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