SCHEMBL6076157

SCHEMBL6076157

CCC(C)c1cc(Br)c2nc(C)c(C)c(O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
DHODH Q02127 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
PRNP P04156 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 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
SCHEMBL6076977 0.83 USP2 (0.32) DHODHHPGDALDH1A1GAAUSP2
SCHEMBL6076666 0.80 ERN1 (0.38) DHODHHPGDALDH1A1GAAUSP2
SCHEMBL6077441 0.74 TDP1 (0.36) DHODHL3MBTL1HPGDHTTGAA
SCHEMBL13920802 0.73 ALDH1A1 (0.44) HPGDLMNAALDH1A1GAAUSP2
SCHEMBL6076162 0.72 NPC1 (0.41) NQO2HPGDLMNAPRNPHTT
SCHEMBL6076908 0.66 DHODH (0.43) NQO2DHODHL3MBTL1HPGDLMNA
SCHEMBL6076918 0.65 PRNP (0.41) NQO2DHODHHPGDLMNAPRNP
SCHEMBL69217 0.64 ALDH1A1 (0.50) HPGDALDH1A1GAAUSP2PKM
SCHEMBL11922868 0.64 ALDH1A1 (0.46) HPGDALDH1A1GAAUSP2PKM
SCHEMBL6077707 0.64 ALOX5 (0.34) DHODHL3MBTL1HPGDLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067668-B2 4-quinolinol derivatives and fungicides containing the same as an active ingredient used for agriculture and horticulture MEIJI SEIKA KAISHA, LTD. (JP) 2006-06-27 US disclosed
EP-0990648-B1 4-QUINOLINOL DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA (JP) 2005-11-02 EP disclosed
US-20040152728-A1 4-Quinolinol derivatives and fungicides containing the same as an active ingredient used for agriculture and horticulture MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-05 US disclosed
US-6680282-B2 FUNGICIDE HAVING AN EXCELLENT CONTROL EFFECT; 4-QUINOLINOL DERIVATIVES HAVING SPECIFIC SUBSTITUENT AT 1,2 AND ATLEAST ONE SUBSTITUENT AT 5,6,7,8 POSITION MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-20 US disclosed
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient MEIJI SEIKA PHARMA CO., LTD. (JP) 2003-06-26 US disclosed
EP-0990648-A1 4-QUINOLINOL DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES CONTAINING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha, Ltd. (JP) 2000-04-05 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 (2 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-20040152728-A1 4-Quinolinol derivatives and fungicides containing the same as an active ingredient used for agriculture and horticulture CYP51A1, CYP4X1, CYP4Z1 NQO2 15/4885DHODH 115/4885L3MBTL1 3402/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS NQO2 13/4885DHODH 41/4885L3MBTL1 1920/4885

“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.