SCHEMBL2546876

SCHEMBL2546876

Cc1cc2oc(Cc3ccccc3)c(C)c2cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B3 P37058 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ALOX5 P09917 1/20 0.38
STS P08842 1/20 0.37
MAOB P27338 4/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAOA P21397 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 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
SCHEMBL9739837 0.79 MAOB (0.48) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL31683019 0.78 KDM4E (0.46) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL9739639 0.75 CCR4 (0.40) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL2549068 0.74 ALOX5 (0.46) KDM4EALDH1A1POLBGAAALOX5
SCHEMBL31683270 0.73 KDM4E (0.48) NQO1KDM4EALDH1A1HPGDGLA
SCHEMBL31683133 0.72 KDM4E (0.47) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL2551423 0.72 NQO1 (0.35) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL9739636 0.71 KDM4E (0.36) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL14523503 0.69 NQO1 (0.50) NQO1KDM4EALDH1A1HPGDPOLB
SCHEMBL25587812 0.69 HPGD (0.56) NQO1KDM4EALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552889-A1 FUNGICIDAL IMINODERIVATIVES BASF SE (DE) 2013-02-06 EP disclosed
US-20130029846-A1 Fungicidal Iminoderivatives BASF SE (DE) 2013-01-31 US disclosed
WO-2011120912-A1 FUNGICIDAL IMINODERIVATIVES BASF SE (DE) 2011-10-06 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-20130029846-A1 Fungicidal Iminoderivatives CYP1B1, CYP1A1, CYP51A1 NQO1 18/4885KDM4E 3466/4885ALDH1A1 506/4885

“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.