SCHEMBL2549068

SCHEMBL2549068

Cc1c(N)ccc2oc(Cc3ccccc3)c(C)c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.46
PTPN1 P18031 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
CALM1 P0DP23 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
STS P08842 1/20 0.34

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
SCHEMBL9739329 0.76 ALOX5 (0.55) ALOX5PTPN1KDM4EALDH1A1MAPT
SCHEMBL2547561 0.75 TDP1 (0.41) ALOX5PTPN1ALDH1A1TSHRHTT
SCHEMBL2546876 0.74 NQO1 (0.43) ALOX5PTPN1KDM4EALDH1A1MTNR1A
SCHEMBL4650255 0.72 HTR2A (0.42) ALOX5TSHRCALM1
SCHEMBL9740795 0.72 ALOX5 (0.73) ALOX5PTPN1KDM4EALDH1A1MAPT
Bromide SCHEMBL8174312 0.70 HTR2A (0.41) ALOX5TSHRCALM1
Water SCHEMBL9684780 0.70 HTR2A (0.41) ALOX5TSHRCALM1
Iodide SCHEMBL22188505 0.70 HTR2A (0.41) ALOX5TSHRCALM1
Hydrochloric Acid SCHEMBL1559085 0.70 HTR2A (0.41) ALOX5CALM1
SCHEMBL3076273 0.70 CALM1 (0.44) KDM4EALDH1A1MAPTTSHRHSD17B10

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 ALOX5 437/4885PTPN1 1289/4885KDM4E 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.