SCHEMBL19936951

SCHEMBL19936951

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccnc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HTR2B P41595 1/20 0.33
▸ HTR5A P47898 1/20 0.33
▸ S1PR5 Q9H228 2/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ SIRT2 Q8IXJ6 2/20 0.32

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
SCHEMBL19937280 0.99 LIMK1 (0.37) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263342 0.97 LIMK1 (0.38) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263330 0.94 CYP1A1 (0.39) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19937278 0.93 CYP1A1 (0.41) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19936947 0.93 CYP1A1 (0.38) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL19937279 0.93 CYP1A1 (0.38) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263418 0.92 CYP11B1 (0.35) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263331 0.92 HSD17B10 (0.38) LIMK1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL21263398 0.91 LIMK1 (0.39) LIMK1CDK5CDK5R1EGFRALOX5
SCHEMBL21263479 0.91 CYP1A1 (0.39) LIMK1KDM4EALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200388768-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 — — US disclosed
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 LIMK1 3482/4885KDM4E 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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