SCHEMBL1468341

SCHEMBL1468341

O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.53
HTT P42858 5/20 0.53
MAPT P10636 5/20 0.53
NPC1 O15118 3/20 0.53
MITF O75030 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.50
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 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
SCHEMBL8061795 0.88 LMNA (0.57) MAPTNPC1MITFSMN1; SMN2LMNA
SCHEMBL1466483 0.87 CRHBP (0.65) NPSR1HTTMAPTNPC1MITF
SCHEMBL1468530 0.82 LMNA (0.55) NPSR1HTTMAPTNPC1MITF
SCHEMBL10359930 0.81 TDP1 (0.57) LMNAMAPK1TDP1ALDH1A1CYP3A4
SCHEMBL30001647 0.81 CDC25B (0.69) MAPTLMNAMAPK1TDP1ALDH1A1
SCHEMBL1466999 0.81 CDC25B (0.69) MAPTLMNAMAPK1TDP1ALDH1A1
SCHEMBL2706463 0.78 ALDH1A1 (0.61) HTTMAPTNPC1SMN1; SMN2LMNA
SCHEMBL2972277 0.78 LMNA (0.57) MAPTNPC1SMN1; SMN2LMNATDP1
SCHEMBL8188602 0.77 BCL2L1 (0.60) HTTMAPTSMN1; SMN2LMNAMAPK1
SCHEMBL3634188 0.77 ALDH1A1 (0.80) NPSR1HTTMAPTLMNAMAPK1

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 NPSR1 4278/4885HTT 4274/4885MAPT 3802/4885
US-20110071145-A1 Raf Modulators And Methods Of Use BRAF, RAF1, ARAF NPSR1 3922/4885HTT 4832/4885MAPT 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.