SCHEMBL10089955

SCHEMBL10089955

O=C(NCc1ccc(Cl)cc1)c1cc(Br)cc(Cl)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
IDH1 O75874 1/20 0.35
DHODH Q02127 5/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CNR1 P21554 2/20 0.33
MCHR1 Q99705 1/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 1/20 0.32
LMNA P02545 1/20 0.32
KLKB1 P03952 1/20 0.32
KCNH2 Q12809 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
SCHEMBL10090009 0.93 MMP13 (0.38) MMP13DHODHCNR1CNR2LMNA
SCHEMBL10089880 0.93 PTGER4 (0.35) HDAC6IDH1DHODHEGLN1LMNA
SCHEMBL10090049 0.91 MEN1 (0.36) DHODHCNR2PPARGLMNA
SCHEMBL10090018 0.90 IDH1 (0.36) MMP13HDAC6IDH1DHODHEGLN1
SCHEMBL10089964 0.89 RIPK1 (0.37) PPARG
SCHEMBL10089958 0.89 DHODH (0.38) MMP13HDAC6IDH1DHODHEGLN1
SCHEMBL10090040 0.88 EGLN1 (0.36) MMP13IDH1DHODHEGLN1CNR2
SCHEMBL15905592 0.87 DHODH (0.37) MMP13IDH1DHODHEGLN1CNR1
SCHEMBL10089899 0.87 HSD17B13 (0.40) DHODH
SCHEMBL10089892 0.86 DHODH (0.38) MMP13HDAC6IDH1DHODHCNR1

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
EP-2582695-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES WITH CYCLICAL SIDE CHAINS BAYER IP GMBH (DE) 2015-09-30 EP disclosed
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 MMP13 4356/4885HDAC6 692/4885IDH1 99/4885

“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.