SCHEMBL18200682

SCHEMBL18200682

c1ccc(-c2cccc(-c3cccc(-c4ccc(-c5cc6c(-c7ccc8ccccc8c7)nc7ccccc7c6c6ccccc56)cc4)c3)n2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALPL P05186 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CCR1 P32246 1/20 0.36

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
SCHEMBL18200640 0.97 SIRT2 (0.38) SIRT2CYP2C9KDM4ELMNATP53
SCHEMBL18201208 0.96 CYP2C9 (0.38) SIRT2CYP2C9KDM4ELMNATP53
SCHEMBL18201307 0.94 CYP2C9 (0.39) SIRT2CYP2C9KDM4ELMNATP53
SCHEMBL18201304 0.94 DHODH (0.40) CYP2C9KDM4ELMNATP53SMN1; SMN2
SCHEMBL18200537 0.91 TSHR (0.41) SIRT2KDM4ELMNATP53SMN1; SMN2
SCHEMBL18200631 0.91 CYP2C9 (0.39) SIRT2CYP2C9KDM4ELMNATP53
SCHEMBL18201202 0.91 CYP2C9 (0.39) SIRT2CYP2C9KDM4ELMNATP53
SCHEMBL18201164 0.90 TSHR (0.43) SIRT2KDM4ELMNATP53SMN1; SMN2
SCHEMBL18200526 0.90 TSHR (0.43) SIRT2KDM4ELMNATP53SMN1; SMN2
SCHEMBL18200515 0.90 TSHR (0.43) SIRT2KDM4ELMNATP53SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 — — US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 — — US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 — — EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 SIRT2 658/4885CYP2C9 31/4885KDM4E 1977/4885

“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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