SCHEMBL2582726

SCHEMBL2582726

CC1(C)Cc2ccccc2C1[NH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
PDPK1 O15530 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HBB P68871 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2D O15399 1/20 0.37

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
SCHEMBL14429883 0.77 ALOX15 (0.44) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL2793129 0.77 HTR2A (0.43) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL700442 0.77 SIGMAR1 (0.40) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL21845156 0.77 HTR2A (0.43) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL1745011 0.77 ALOX15 (0.44) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL24388766 0.74 PDPK1 (0.47) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL9733609 0.74 SIGMAR1 (0.38) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL2581679 0.74 PDPK1 (0.47) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL2401875 0.74 SIGMAR1 (0.38) SIGMAR1PDPK1ALDH1A1MAPTALOX15
SCHEMBL12745141 0.72 SLC6A2 (0.40) SIGMAR1PDPK1ALDH1A1MAPTALOX15

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
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 SIGMAR1 841/4885PDPK1 2577/4885ALDH1A1 649/4885

“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.