SCHEMBL22734270

SCHEMBL22734270

COc1ccccc1CC(=O)Nc1ccnc(C(=O)O)c1C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ MAPT P10636 2/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ GAA P10253 4/20 0.55
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ GFER P55789 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5261845 0.86 TSHR (0.64) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL22734285 0.84 ANO1 (0.54) MAPTKDM4EALDH1A1HSD17B10GAA
SCHEMBL22734280 0.83 NPC1 (0.49) ALDH1A1
SCHEMBL23327862 0.77 BRD4 (0.68) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL10340271 0.76 KDM4E (0.77) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL34463090 0.75 TSHR (0.55) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL8049389 0.74 MEN1 (0.76) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL31393812 0.74 MEN1 (0.76) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL31240678 0.71 GAA (0.62) TSHRMAPTKDM4EALDH1A1HSD17B10
SCHEMBL28000025 0.71 HSD17B13 (0.55) TSHRMAPTKDM4EALDH1A1HSD17B10

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-20200383988-A1 Compounds ENTERPRISE THERAPEUTICS HOLDINGS LIMITED (GB) 2020-12-10 — — 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-20200383988-A1 Compounds CACNA1E, TMEM109, CACNA1A TSHR 2117/4885MAPT 4004/4885KDM4E 3393/4885

“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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