SCHEMBL298453

SCHEMBL298453

COc1cnc2[nH]cc(C(=O)c3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
XDH P47989 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NEK1 Q96PY6 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 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
SCHEMBL299080 0.86 XDH (0.48) AAK1ALDH1A1RAB9ANPC1XDH
SCHEMBL21624518 0.84 KMT2A (0.49) AAK1MAPTALDH1A1RAB9ANPC1
SCHEMBL3698741 0.83 AAK1 (0.53) AAK1NPC1LMNAIRAK4SMN1; SMN2
SCHEMBL3711724 0.83 AAK1 (0.55) AAK1IRAK4SMN1; SMN2NEK1MTNR1A
SCHEMBL31380217 0.82 GABRP (0.56) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL10283344 0.81 AAK1 (0.51) AAK1IRAK4SMN1; SMN2NEK1MTNR1A
SCHEMBL298527 0.80 MET (0.56) MAPTALDH1A1RAB9ALMNAHTT
SCHEMBL856377 0.80 RIPK1 (0.51) AAK1MAPTRAB9ALMNAHTT
SCHEMBL856725 0.79 NEK1 (0.52) AAK1MAPTALDH1A1RAB9ALMNA
SCHEMBL297243 0.76 SRC (0.40) MAPTALDH1A1RAB9ANPC1LMNA

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-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 AAK1 247/4885MAPT 3733/4885ALDH1A1 3328/4885

“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.