SCHEMBL4945832

SCHEMBL4945832

Nc1cc(F)ccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 12/20 0.49
▸ BRAF P15056 12/20 0.49
▸ HDAC1 Q13547 1/20 0.47
▸ PYGL P06737 1/20 0.45
▸ FADS1 O60427 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4946278 0.90 FADS1 (0.55) KITBRAFHDAC1FADS1NPC1
SCHEMBL31726118 0.87 KIT (0.53) KITBRAF
SCHEMBL4943799 0.86 NPC1 (0.52) KITBRAFFADS1NPC1RAB9A
SCHEMBL4943862 0.85 KIT (0.59) KITBRAFFADS1
SCHEMBL4944244 0.82 FADS1 (0.55) KITBRAFHDAC1PYGLFADS1
SCHEMBL4937476 0.79 KIT (0.49) KITBRAFFADS1NPC1RAB9A
SCHEMBL4944485 0.77 KIT (0.58) KITBRAFFADS1NPC1RAB9A
SCHEMBL5790077 0.76 KIT (0.52) KITBRAFNPC1RAB9AALDH1A1
SCHEMBL4937943 0.75 KIT (0.69) KITBRAF
SCHEMBL31583103 0.75 KIT (0.49) KITBRAF

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
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 — — EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 — — 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 KIT 2298/4885BRAF 406/4885HDAC1 479/4885

“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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