SCHEMBL1469017

SCHEMBL1469017

Cc1ccc(Br)cc1NC(=O)c1ccccc1C(=O)c1ccc2nc(N(C)C(=O)O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 6/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ RAF1 P04049 5/20 0.45
▸ BRAF P15056 5/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 3/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL1467948 0.90 MAPT (0.46) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467642 0.90 NPSR1 (0.46) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467015 0.86 RAF1 (0.49) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL2297946 0.85 RAF1 (0.57) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467656 0.83 RAF1 (0.47) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467343 0.83 RAF1 (0.45) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467172 0.82 NPSR1 (0.46) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1466892 0.81 RAF1 (0.66) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467514 0.81 RAF1 (0.50) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1467653 0.81 MAPT (0.51) ALDH1A1MAPTHPGDHTTKDM4E

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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP claimed
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 — — US claimed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 — — US claimed

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-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF ALDH1A1 2219/4885MAPT 4711/4885HPGD 1817/4885

“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.

Send feedback