SCHEMBL10089958

SCHEMBL10089958

Cc1cc(C)c(NC(=O)c2cc(Cn3nnc(C(F)(F)F)n3)nn2-c2ncccc2Cl)c(C(=O)NCc2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
MMP13 P45452 1/20 0.35
PPARG P37231 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
CCR1 P32246 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
IDH1 O75874 1/20 0.34
KLKB1 P03952 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL10089892 0.93 DHODH (0.38) DHODHMMP13PPARGHDAC6IDH1
SCHEMBL10089858 0.92 IDH1 (0.40) DHODHMMP13PPARGHDAC6CCR1
SCHEMBL10089874 0.92 MMP13 (0.36) DHODHMMP13PPARGMAPTIDH1
SCHEMBL10089967 0.91 DHODH (0.36) DHODHMMP13PPARGIDH1CNR2
SCHEMBL13084953 0.91 ALDH1A1 (0.33) DHODH
SCHEMBL10151096 0.91 DHODH (0.33) DHODHHDAC6
SCHEMBL10090027 0.91 PPARG (0.34) DHODHMMP13PPARGHDAC6MAPT
SCHEMBL10089870 0.91 KMT2A (0.36) DHODHMMP13PPARGCCR1MAPT
SCHEMBL10089981 0.90 IDH1 (0.36) DHODHMMP13PPARGHDAC6IDH1
SCHEMBL10089876 0.90 PPARG (0.36) MMP13PPARGCCR1CNR1CNR2

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 DHODH 237/4885MMP13 4356/4885PPARG 3227/4885

“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.