SCHEMBL1613292

SCHEMBL1613292

COC(=O)c1nc(-c2cc(F)c(F)cc2F)nc(N(C)c2ccco2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.34
▸ ALPL P05186 1/20 0.33
▸ ACLY P53396 3/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL1610833 0.88 CFTR (0.32) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1609769 0.86 CFTR (0.33) CFTRRAB9ANPC1POLBCACNA1B
SCHEMBL1609528 0.84 ALPL (0.37) CFTRALPLRAB9ANPC1ALDH1A1
SCHEMBL1610843 0.82 CFTR (0.41) CFTRRAB9ANPC1POLBKDM4E
SCHEMBL1612741 0.82 TUBB4A (0.36) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL27856129 0.82 KDM4E (0.39) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL11903207 0.81 HSD17B10 (0.36) CFTRRAB9ANPC1POLBCACNA1B
SCHEMBL1609021 0.81 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL1610593 0.80 TUBB4A (0.41) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL1610481 0.80 CFTR (0.38) CFTRRAB9ANPC1POLBALDH1A1

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 — — 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 CFTR 3623/4885ALPL 1756/4885ACLY 905/4885

“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.

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