SCHEMBL12201458

SCHEMBL12201458

c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cn5ccncc5n4)cc3)c3c4ccccc4c4c5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(-c7cn8cccnc8n7)cc6)c5c5ccccc5c4c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.48
▸ KDM4E B2RXH2 13/20 0.48
▸ HPGD P15428 8/20 0.48
▸ GLA P06280 5/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ RAB9A P51151 12/20 0.41
▸ NPC1 O15118 8/20 0.41
▸ GAA P10253 7/20 0.41
▸ MAPT P10636 6/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 3/20 0.39
▸ GFER P55789 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL12201422 0.85 KDM4E (0.47) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12197821 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12201461 0.83 RAB9A (0.47) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL12757672 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL10021248 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12031946 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12197820 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12197815 0.76 RAB9A (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL12201503 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL12197825 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGLAHSD17B10

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-8455866-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 — — US disclosed
US-8455866-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 — — US disclosed
US-20110240977-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-10-06 — — US disclosed
US-20110240977-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2011-10-06 — — 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-20110240977-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME IDO1, LEF1, TPH1 ALDH1A1 1060/4885KDM4E 2938/4885HPGD 1342/4885

“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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