SCHEMBL6502262

SCHEMBL6502262

O=CC(c1cccc(Cl)c1)c1ccnc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.35
KCNA5 P22460 2/20 0.34
NFE2L2 Q16236 2/20 0.33
EGLN2 Q96KS0 2/20 0.33
CTSA P10619 1/20 0.32
GAA P10253 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL9729576 0.82 ACP3 (0.46) ACP3
SCHEMBL3907301 0.81 CYP19A1 (0.41) ACP3NFE2L2GAAMAPK3MAPK1
SCHEMBL6189080 0.81 KMO (0.36)
SCHEMBL7502772 0.80 PNMT (0.42) ACP3KCNA5
SCHEMBL6510115 0.79 MAPK14 (0.34) CTSAMAPK1
SCHEMBL6189088 0.78 PTGDR2 (0.36) MAPK1CYP19A1
SCHEMBL1515745 0.77 ACP3 (0.50) ACP3
SCHEMBL21778081 0.76 ACP3 (0.41) ACP3
SCHEMBL11152058 0.76 ACP3 (0.41) ACP3
SCHEMBL6501170 0.76 CYP19A1 (0.46) KCNA5NFE2L2GAACYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 ACP3 61/4885KCNA5 3736/4885NFE2L2 934/4885

“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.