SCHEMBL19937165

SCHEMBL19937165

c1ccc(-c2cc(-c3cccc(-c4ccccn4)c3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SIRT2 Q8IXJ6 5/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KRAS P01116 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ DHODH Q02127 1/20 0.34
▸ LIMK1 P53667 4/20 0.34
▸ DCTPP1 Q9H773 1/20 0.33
▸ PIK3CD O00329 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
SCHEMBL19937163 0.97 TSHR (0.37) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL19937164 0.96 HSD17B10 (0.38) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL21263331 0.94 HSD17B10 (0.38) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL21263479 0.94 CYP1A1 (0.39) KDM4EALDH1A1LMNAMAPTSIRT2
SCHEMBL19937278 0.94 CYP1A1 (0.41) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL21263330 0.93 CYP1A1 (0.39) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL19936968 0.91 CYP1A1 (0.37) HSD17B10KDM4EALDH1A1LMNATP53
SCHEMBL21263341 0.91 CYP1A1 (0.37) HSD17B10KDM4EALDH1A1LMNATP53
SCHEMBL21263357 0.91 CYP1A1 (0.38) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL19936947 0.91 CYP1A1 (0.38) TSHRHSD17B10KDM4EALDH1A1LMNA

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 2 patents. 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
WO-2018043761-A1 SPECIFICALLY SUBSTITUTED AZA-DIBENZOFURANS AND AZA-DIBENZOTHIOPHENES FOR ORGANIC ELECTRONIC DEVICES IDEMITSU KOSAN CO.,LTD. (JP) 2018-03-08 — — WO 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 TSHR 482/4885HSD17B10 4140/4885KDM4E 212/4885

“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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