SCHEMBL3878262

SCHEMBL3878262

Nc1c(O)ccc2c1oc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
ALOX5 P09917 3/20 0.51
KDM5A P29375 1/20 0.49
DYRK1A Q13627 1/20 0.47
GAA P10253 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GFER P55789 1/20 0.46
MAOA P21397 2/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
ESR2 Q92731 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL3878168 0.82 GAA (0.56) GAAHSD17B10GFERKDM4EALDH1A1
SCHEMBL3881176 0.81 PTGS2 (0.74) PTGS2ALOX5KDM5ADYRK1AHSD17B10
SCHEMBL3885246 0.81 KMT2A (0.48) PTGS2ALOX5DYRK1AGAAHSD17B10
SCHEMBL29706088 0.78 PTGS2 (0.51) PTGS2ALOX5KDM5ADYRK1AGAA
SCHEMBL20751935 0.78 KDM4E (0.46) GAAHSD17B10MAOAKDM4EMAPT
SCHEMBL3874697 0.78 PTGS2 (0.51) PTGS2ALOX5KDM5ADYRK1AGAA
SCHEMBL17076950 0.78 PTGS2 (0.51) PTGS2ALOX5KDM5ADYRK1AGAA
SCHEMBL30594908 0.78 PTGS2 (0.51) PTGS2ALOX5KDM5ADYRK1AGAA
SCHEMBL13564032 0.77 AHR (0.52) PTGS2ALOX5KDM5ADYRK1AHSD17B10
SCHEMBL1635471 0.77 AHR (0.52) PTGS2ALOX5KDM5ADYRK1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
CN-115043852-B Benzoxazole derivative and electroluminescent application thereof 武汉天马微电子有限公司 2023-12-29 CN disclosed
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-04 US disclosed
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-04 US disclosed
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-04 US disclosed
CN-115043852-A Benzoxazole derivative and electroluminescent application thereof 武汉天马微电子有限公司 2022-09-13 CN disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (3 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 PTGS2 2307/4885ALOX5 1116/4885KDM5A 259/4885
US-20230139051-A1 BENZOXAZOLE DERIVATIVE AND ELECTROLUMINESCENT APPLICATION THEREOF TSPO, XDH, TARS2 PTGS2 1913/4885ALOX5 813/4885KDM5A 1045/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PTGS2 2307/4885ALOX5 1116/4885KDM5A 259/4885

“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.