SCHEMBL6076675

SCHEMBL6076675

CCCCc1cc(C=O)c2nc(C)c(C)c(O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDK1 P06493 1/20 0.35
ERN1 O75460 2/20 0.35
PTGS2 P35354 3/20 0.33
CYP3A4 P08684 1/20 0.33
PSMB5 P28074 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL6076615 0.81 ALOX5 (0.33) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6076162 0.80 NPC1 (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6141791 0.79 ERN1 (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6078590 0.76 L3MBTL1 (0.38) NPC1HTTRAB9ACDK1ERN1
SCHEMBL22763957 0.76 HTT (0.49) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6076666 0.74 ERN1 (0.38) HPGDERN1
SCHEMBL3967922 0.73 NPC1 (0.44) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL8432218 0.73 PTGS2 (0.56) CDK1ERN1PTGS2CYP3A4LMNA
SCHEMBL27621298 0.73 PTGS2 (0.56) CDK1ERN1PTGS2CYP3A4LMNA
SCHEMBL15151743 0.72 PTGS2 (0.49) NPC1HPGDMAPK1HTTRAB9A

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 NPC1 4124/4885HPGD 3338/4885MAPK1 3287/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS NPC1 3837/4885HPGD 2467/4885MAPK1 3308/4885

“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.