SCHEMBL13045935

SCHEMBL13045935

Cc1ccccc1CCCc1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CCR1 P32246 2/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SPR P35270 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1775261 0.89 POLB (0.46) GAACCR1KDM4EPOLBTSHR
SCHEMBL1774525 0.87 GAA (0.43) GAACCR1KDM4EPOLBTSHR
SCHEMBL1774312 0.87 GAA (0.41) GAACCR1KDM4EPOLBTSHR
SCHEMBL13523714 0.85 GAA (0.50) GAACCR1KDM4EPOLBTSHR
SCHEMBL1045128 0.83 GAA (0.42) GAACCR1KDM4EPOLBTSHR
SCHEMBL13169907 0.82 GAA (0.46) GAACCR1KDM4EPOLBTSHR
SCHEMBL2595414 0.81 CCR1 (0.41) GAACCR1KDM4EPOLBTSHR
SCHEMBL2599385 0.81 GAA (0.46) GAACCR1KDM4EPOLBTSHR
SCHEMBL20801744 0.81 GAA (0.51) GAACCR1KDM4EPOLBTSHR
SCHEMBL1228464 0.81 GAA (0.51) GAACCR1KDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 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-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 GAA 358/4885CCR1 655/4885KDM4E 904/4885

“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.