SCHEMBL4944777

SCHEMBL4944777

O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ P2RX1 P51575 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ KIT P10721 1/20 0.54
▸ BRAF P15056 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ THRB P10828 1/20 0.51

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
SCHEMBL4937567 0.93 MEN1 (0.56) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL4941710 0.86 RAB9A (0.46) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL10521056 0.84 TUBB4A (0.48) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL4944711 0.82 HTT (0.47) MEN1KMT2ARAB9AHTTALDH1A1
SCHEMBL4944485 0.80 KIT (0.58) RAB9AP2RX1KITBRAFGAA
SCHEMBL5223087 0.75 MDM2 (0.72) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL12553629 0.75 MEN1 (0.74) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL5225415 0.75 MEN1 (0.70) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL995085 0.74 GAA (0.77) MEN1KMT2ARAB9AHTTP2RX1
SCHEMBL4937476 0.74 KIT (0.49) RAB9ACASP3KITBRAFSMN1; SMN2

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 5 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
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
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 MEN1 2729/4885KMT2A 519/4885RAB9A 2779/4885

“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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