SCHEMBL6077441

SCHEMBL6077441

CCC(C)c1cc(Br)c2nc(C)c(C)c(OCc3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
DAPK1 P53355 1/20 0.33
GLRA1 P23415 1/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
DHODH Q02127 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6078583 0.84 SMN1; SMN2 (0.35) KMT2AMEN1TSHRSMN1; SMN2STAT3
SCHEMBL6077445 0.79 THRA (0.42) TSHRSMN1; SMN2STAT3HTTL3MBTL1
SCHEMBL6076329 0.76 SMN1; SMN2 (0.40) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6077263 0.72 TSHR (0.36) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL26608216 0.69 L3MBTL1 (0.47) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL3103639 0.67 L3MBTL1 (0.50) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL6078590 0.66 L3MBTL1 (0.38) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL28006266 0.66 KMT2A (0.42) TDP1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL1518231 0.65 NUDT1 (0.47) TDP1TSHRSMN1; SMN2STAT3HTT
SCHEMBL15459483 0.65 TSHR (0.47) TDP1KMT2AMEN1TSHRSMN1; SMN2

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 TDP1 2185/4885KMT2A 374/4885MEN1 1863/4885
US-20030119863-A1 4-Quinolinol derivatives and agrohorticultural bactericides containing the same as active ingredient CYP51A1, DDT, PGLS TDP1 2480/4885KMT2A 610/4885MEN1 1001/4885

“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.