SCHEMBL12416005

SCHEMBL12416005

COc1cc(CO)nc(C(C)c2cccc(Cl)c2N)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 2/20 0.35
THRB P10828 1/20 0.33
RORC P51449 1/20 0.33
CTSA P10619 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CCR4 P51679 1/20 0.31
LPAR1 Q92633 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL2286974 0.88 HSP90AA1 (0.41) HSP90AA1HSP90AB1CTSANPSR1OPRM1
SCHEMBL5499243 0.78 CTSA (0.36) HSP90AA1HSP90AB1CTSAKCNJ5KCNJ3
SCHEMBL2292233 0.76 HSP90AA1 (0.37) HSP90AA1HSP90AB1CTSANPSR1KCNJ5
SCHEMBL2287144 0.76 CYP1A2 (0.37) HSP90AA1HSP90AB1PDCD1LG2CD274
SCHEMBL2286121 0.75 HSP90AA1 (0.38) HSP90AA1HSP90AB1CTSANPSR1OPRM1
SCHEMBL13078652 0.74 CXCR2 (0.33) CTSA
SCHEMBL5503157 0.74 HSP90AA1 (0.36) HSP90AA1HSP90AB1CTSANPSR1OPRM1
SCHEMBL11993262 0.74 PDE2A (0.36) HSP90AA1HSP90AB1KCNJ5KCNJ3CCR4
SCHEMBL2286995 0.74 HSP90AA1 (0.37) HSP90AA1HSP90AB1CTSANPSR1OPRM1
SCHEMBL28761320 0.73 NUDT1 (0.36) HSP90AA1HSP90AB1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 HSP90AA1 3876/4885HSP90AB1 3783/4885THRB 3057/4885

“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.