SCHEMBL297243

SCHEMBL297243

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
RIPK1 Q13546 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
MET P08581 1/20 0.38
ACP3 P15309 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL26696356 0.84 MGAM (0.43) SRCMGAMGAASIMGAM2
SCHEMBL26696377 0.84 MGAM (0.41) SRCMGAMGAASIMGAM2
SCHEMBL10283343 0.81 MTNR1B (0.40) MTNR1AMTNR1BRIPK1MAPK1
SCHEMBL26696380 0.81 MET (0.55) SRCMGAMGAASIMGAM2
SCHEMBL3505643 0.79 RIPK1 (0.47) SRCRIPK1RAB9AMET
SCHEMBL298453 0.76 AAK1 (0.49) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL300129 0.75 MAOB (0.49) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL859064 0.75 SMN1; SMN2 (0.39) GAAMAPTMEN1KMT2AHTT
SCHEMBL26696361 0.74 MGAM (0.45) SRCMGAMGAASIMGAM2
SCHEMBL26696383 0.73 MGAM (0.49) SRCMGAMGAASIMGAM2

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 SRC 48/4885MGAM 1703/4885GAA 3697/4885

“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.