SCHEMBL2547565

SCHEMBL2547565

Cc1cc2oc(Cc3ccccc3)c(C)c2cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
PTPN1 P18031 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
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
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2547561 0.78 TDP1 (0.41) ALDH1A1HPGDPOLBPTPN1KMT2A
SCHEMBL2546876 0.78 NQO1 (0.43) NQO1ALDH1A1KDM4EHPGDPOLB
SCHEMBL9739837 0.75 MAOB (0.48) NQO1ALDH1A1KDM4EHPGDPOLB
SCHEMBL9739639 0.71 CCR4 (0.40) NQO1ALDH1A1KDM4EHPGDPOLB
SCHEMBL31683133 0.71 KDM4E (0.47) NQO1ALDH1A1KDM4EHPGDPOLB
SCHEMBL10652958 0.71 CES2 (0.53) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL31683019 0.71 KDM4E (0.46) NQO1ALDH1A1KDM4EHPGDPOLB
SCHEMBL31683270 0.70 KDM4E (0.48) NQO1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL12320802 0.69 MAPT (0.58) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL2547265 0.68 NPC1 (0.47) ALDH1A1HPGDKMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552889-A1 FUNGICIDAL IMINODERIVATIVES BASF SE (DE) 2013-02-06 EP disclosed
CN-102918026-A Fungicidal iminoderivatives BASF SE 2013-02-06 CN 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 18/4885ALDH1A1 506/4885KDM4E 3466/4885

“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.