SCHEMBL299080

SCHEMBL299080

Cc1cnc2[nH]cc(C(=O)c3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
ALDH1A1 P00352 3/20 0.45
AAK1 Q2M2I8 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRAF P15056 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RIPK1 Q13546 1/20 0.43
BRD4 O60885 1/20 0.43
TP53 P04637 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL21624518 0.87 KMT2A (0.49) XDHALDH1A1AAK1NPSR1BRAF
SCHEMBL298453 0.86 AAK1 (0.49) XDHALDH1A1AAK1SMN1; SMN2KMT2A
SCHEMBL298527 0.83 MET (0.56) XDHALDH1A1NPSR1SMN1; SMN2CES2
SCHEMBL856377 0.82 RIPK1 (0.51) XDHAAK1SMN1; SMN2KMT2AMEN1
SCHEMBL3710853 0.81 NEK2 (0.50) AAK1BRAFCYP3A4BRD4
SCHEMBL3705033 0.81 AAK1 (0.47) AAK1BRAFCYP3A4NPC1BRD4
SCHEMBL856725 0.81 NEK1 (0.52) XDHALDH1A1AAK1SMN1; SMN2RAB9A
SCHEMBL6940654 0.75 MAPT (0.57) XDHALDH1A1NPSR1SMN1; SMN2CES2
SCHEMBL4570622 0.74 BRAF (0.49) ALDH1A1AAK1NPSR1BRAFCYP3A4
SCHEMBL4570634 0.74 AAK1 (0.47) ALDH1A1AAK1NPSR1BRAFKMT2A

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF XDH 2285/4885ALDH1A1 3328/4885AAK1 247/4885

“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.