SCHEMBL7974514

SCHEMBL7974514

COC(=O)Cc1ccc(N)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
GAA P10253 2/20 0.64
GFER P55789 1/20 0.64
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HSP90AB1 P08238 1/20 0.47
SLC7A5 Q01650 1/20 0.46
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHEK1 O14757 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PDK2 Q15119 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL7237331 0.84 ALDH1A1 (0.75) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30565426 0.84 ALDH1A1 (0.75) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL4597795 0.84 ALDH1A1 (0.45) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL3213276 0.81 ALDH1A1 (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL30026686 0.81 ALDH1A1 (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL2436585 0.81 GAA (0.76) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL4108699 0.81 GAA (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL8151837 0.81 ALDH1A1 (0.66) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL13014917 0.81 ALDH1A1 (0.53) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL5957236 0.80 ALDH1A1 (0.64) ALDH1A1GAAGFERCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
WO-2013117645-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
WO-2013117645-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
WO-2013117649-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
WO-2013117649-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
WO-2001090105-A1 ISOTHIAZOLES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-11-29 WO 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-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JAK1, IL6, JAK3 ALDH1A1 1175/4885GAA 724/4885GFER 4706/4885

“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.