SCHEMBL10089980

SCHEMBL10089980

Cc1cc(C#N)cc(C(=O)NCc2ccc(OC(F)F)cc2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
CNR1 P21554 5/20 0.35
NR1I2 O75469 1/20 0.35
PPARG P37231 1/20 0.35
SLC2A1 P11166 8/20 0.34
SLC2A3 P11169 8/20 0.34
SLC2A4 P14672 8/20 0.34
SLC2A2 P11168 3/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
ELANE P08246 1/20 0.33
GPR6 P46095 1/20 0.33
LMNA P02545 1/20 0.32
USP36 Q9P275 1/20 0.32

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
SCHEMBL10089908 0.95 KLKB1 (0.35) IDH1CNR1PPARGSLC2A1SLC2A3
SCHEMBL10089935 0.94 SLC2A1 (0.36) NR1I2PPARGSLC2A1SLC2A3SLC2A4
SCHEMBL10089857 0.93 LMNA (0.39) IDH1CNR1SLC2A1SLC2A3SLC2A4
SCHEMBL10089902 0.93 IDH1 (0.37) IDH1CNR1SLC2A1SLC2A3SLC2A4
SCHEMBL10089936 0.92 IDH1 (0.39) IDH1CNR1SLC2A1SLC2A3SLC2A4
SCHEMBL10089878 0.92 IDH1 (0.39) IDH1CNR1SLC2A1SLC2A3SLC2A4
SCHEMBL10089975 0.92 SLC2A1 (0.35) IDH1NR1I2PPARGSLC2A1SLC2A3
SCHEMBL10089906 0.91 GPR6 (0.34) IDH1CNR1SLC2A1SLC2A3SLC2A4
SCHEMBL17122529 0.91 IDH1 (0.36) IDH1NR1I2PPARGCPT1ACPT1B
SCHEMBL10090022 0.90 IDH1 (0.37) IDH1CNR1SLC2A1SLC2A3SLC2A4

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-8791143-B2 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2012-01-12 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-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains DDT, ADCY1, ANTXR2 IDH1 99/4885CNR1 984/4885NR1I2 2630/4885

“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.