SCHEMBL1466483

SCHEMBL1466483

Nc1ccc(C(=O)c2ccccc2C(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
MAPT P10636 6/20 0.61
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 6/20 0.55
HTT P42858 5/20 0.55
LMNA P02545 4/20 0.55
NPC1 O15118 3/20 0.55
MITF O75030 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AGTR1 P30556 1/20 0.49
ITGB1 P05556 1/20 0.49

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
SCHEMBL27612878 0.88 MAPT (0.77) CRHBPCRHR2MAPTRAB9ALMNA
SCHEMBL1468341 0.87 NPSR1 (0.53) CRHBPCRHR2MAPTRAB9ANPSR1
SCHEMBL1467085 0.84 ALDH1A1 (0.58) MAPTRAB9ANPSR1HTTLMNA
SCHEMBL1466753 0.82 CRHBP (0.76) CRHBPCRHR2MAPTRAB9ANPSR1
SCHEMBL1466536 0.81 KDM4E (0.70) CRHBPCRHR2MAPTLMNAMAPK1
SCHEMBL1466534 0.81 KDM4E (0.70) CRHBPCRHR2MAPTLMNAMAPK1
SCHEMBL1468530 0.81 LMNA (0.55) CRHBPCRHR2MAPTRAB9ANPSR1
SCHEMBL11491980 0.78 MAPT (0.62) MAPTRAB9ALMNANPC1SMN1; SMN2
SCHEMBL1972609 0.78 RAB9A (0.54) MAPTRAB9AMITFMAPK1KDM4E
SCHEMBL2706463 0.77 ALDH1A1 (0.61) MAPTRAB9AHTTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697737-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2014-04-15 US disclosed
US-20110071145-A1 Raf Modulators And Methods Of Use EXELIXIS, INC. (US) 2011-03-24 US disclosed
US-7846959-B2 Raf modulators and methods of use EXELIXIS, INC. (US) 2010-12-07 US disclosed
US-20080009488-A1 Raf Modulators and Methods of Use EXELIXIS, INC. (US) 2008-01-10 US disclosed
EP-1751124-A2 RAF MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005112932-A2 RAF MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-01 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 (2 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-20080009488-A1 Raf Modulators and Methods of Use BRAF, RAF1, ARAF CRHBP 3781/4885CRHR2 4427/4885MAPT 3802/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF CRHBP 4530/4885CRHR2 4002/4885MAPT 4711/4885

“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.