SCHEMBL21263331

SCHEMBL21263331

c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SIRT2 Q8IXJ6 5/20 0.37
▸ KRAS P01116 1/20 0.37
▸ LIMK1 P53667 4/20 0.34
▸ DCTPP1 Q9H773 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL19937164 0.94 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19937165 0.94 TSHR (0.38) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19937163 0.94 TSHR (0.37) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263342 0.93 LIMK1 (0.38) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19937280 0.92 LIMK1 (0.37) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19936951 0.92 LIMK1 (0.37) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263514 0.89 KRAS (0.38) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263479 0.89 CYP1A1 (0.39) KDM4EALDH1A1MAPTLMNASIRT2
SCHEMBL19936968 0.89 CYP1A1 (0.37) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19937279 0.89 CYP1A1 (0.38) HSD17B10KDM4EALDH1A1TP53SMN1; SMN2

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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO., LTD. (JP) 2019-08-15 — — 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-20190248804-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES CDY1; CDY1B, CDYL, CBX8 HSD17B10 4140/4885KDM4E 212/4885ALDH1A1 1323/4885

“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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