SCHEMBL21263418

SCHEMBL21263418

c1ccc(-c2nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4ccnc5c4sc4ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LIMK1 P53667 3/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ HTR5A P47898 1/20 0.31
▸ S1PR5 Q9H228 2/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL21263482 0.94 CYP11B1 (0.38) CYP11B1SMN1; SMN2LIMK1CDK5CDK5R1
SCHEMBL19936993 0.94 CYP11B1 (0.39) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19937280 0.93 LIMK1 (0.37) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL21263476 0.92 CYP1A1 (0.36) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19937235 0.92 CYP1A1 (0.36) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19937231 0.92 CYP1A1 (0.39) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19937172 0.92 CYP11B1 (0.36) CYP11B1SMN1; SMN2KDM4EALDH1A1TP53
SCHEMBL19936951 0.92 LIMK1 (0.37) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL21263342 0.91 LIMK1 (0.38) CYP11B1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL19937255 0.88 CYP11B1 (0.36) CYP11B1MEN1ALDH1A1KMT2AHSD17B10

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 CYP11B1 2810/4885SMN1; SMN2 3820/4885KDM4E 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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