SCHEMBL22274280

SCHEMBL22274280

Brc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.45
▸ MAPK1 P28482 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PARP14 Q460N5 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ C1R P00736 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 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
SCHEMBL22274536 0.93 ALOX5 (0.44) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL17232201 0.93 ALOX5 (0.50) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL15501880 0.93 ALOX5 (0.50) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL23870023 0.92 ALOX5 (0.45) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL22273838 0.91 ALOX5 (0.42) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL17486028 0.90 ALOX5 (0.47) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL30859460 0.90 ALOX5 (0.47) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL23349698 0.90 ALOX5 (0.48) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL21658962 0.90 ALOX5 (0.48) ALOX5MAPK1MAPTL3MBTL1TP53
SCHEMBL24450625 0.90 ALOX5 (0.51) ALOX5MAPK1MAPTL3MBTL1TP53

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-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-17 — — US disclosed
WO-2020153758-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-30 — — 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-20220085298-A1 COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE ALDH1A2, OXER1, AOX1 ALOX5 862/4885MAPK1 82/4885MAPT 2645/4885

“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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