SCHEMBL2551920

SCHEMBL2551920

C/C(CCc1ccccc1)=N\O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 4/20 0.56
RECQL P46063 1/20 0.56
KEAP1 Q14145 1/20 0.50
FFAR1 O14842 1/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL5593707 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ERECQLKEAP1FFAR1
SCHEMBL2551922 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ERECQLKEAP1FFAR1
Water SCHEMBL27851978 0.98 ALDH1A1 (0.55) ALDH1A1KDM4ERECQLKEAP1FFAR1
SCHEMBL11479198 0.88 FFAR1 (0.56) ALDH1A1KDM4ERECQLFFAR1LMNA
SCHEMBL28410645 0.88 HDAC1 (0.53) ALDH1A1KDM4ERECQLTDP1HDAC2
SCHEMBL30543587 0.84 MAPT (0.56) ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL9862263 0.84 MAPT (0.56) ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL3961254 0.84 MAPT (0.56) ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL10877101 0.84 FFAR1 (0.60) KDM4ERECQLFFAR1
SCHEMBL10665281 0.84 FFAR1 (0.60) KDM4ERECQLFFAR1

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 ALDH1A1 506/4885KDM4E 3466/4885RECQL 2183/4885

“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.