SCHEMBL26606785

SCHEMBL26606785

COc1ccccc1-c1c(C)c(C(N)=O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.53
▸ CDK9 P50750 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ ADORA2A P29274 1/20 0.48
▸ DHODH Q02127 1/20 0.46
▸ C1R P00736 1/20 0.46
▸ GUSB P08236 1/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL26606768 0.83 THRB (0.43) IKBKBGUSBKDM4ERAB9A
SCHEMBL26606784 0.80 CDK9 (0.47) IKBKBCDK9DYRK1ASMN1; SMN2ALDH1A1
SCHEMBL10903923 0.77 ADORA2A (0.59) ADORA2ADHODHC1RGUSBALOX15
SCHEMBL30956246 0.77 ADORA2A (0.59) ADORA2ADHODHC1RGUSBALOX15
SCHEMBL30905482 0.77 PKMYT1 (0.47) IKBKBCDK9DYRK1ADHODHALOX15
SCHEMBL27401714 0.77 PKMYT1 (0.47) IKBKBCDK9DYRK1ADHODHALOX15
SCHEMBL1840712 0.76 ALDH1A1 (0.49) DYRK1AADORA2ADHODHSMN1; SMN2ALDH1A1
SCHEMBL28619071 0.74 ADORA2A (0.51) IKBKBADORA2ADHODHC1RGUSB
SCHEMBL4783804 0.73 KDM4E (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL2189924 0.72 IKBKB (0.53) IKBKBSMN1; SMN2ALDH1A1CYP1A2TSHR

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-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 — — 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-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 IKBKB 861/4885CDK9 2608/4885DYRK1A 4573/4885

“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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