SCHEMBL11220340

SCHEMBL11220340

CC(C)(C)c1cc(C(N)=O)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GPR39 O43194 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HCAR2 Q8TDS4 4/20 0.38
AURKA O14965 2/20 0.38
RPS6KB1 P23443 2/20 0.38
AURKB Q96GD4 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DAO P14920 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK14 Q16539 1/20 0.37
STK25 O00506 1/20 0.36

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
SCHEMBL6371053 0.82 HCAR2 (0.57) GPR39HCAR2DAO
SCHEMBL15472487 0.82 MEN1 (0.47) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL6757804 0.81 ALOX15 (0.48) KMT2AAURKARPS6KB1AURKB
SCHEMBL11215462 0.81 KMT2A (0.46) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL16939218 0.78 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL14524215 0.78 MAPK1 (0.61) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL11215060 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL18407323 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL16939219 0.74 MEN1 (0.41) SMN1; SMN2NPC1RAB9AGPR39MEN1
SCHEMBL4002119 0.74 KMT2A (0.50) SMN1; SMN2NPC1RAB9AKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57106665-A None JP disclosed
US-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds PHENEX PHARMACEUTICALS AG (DE) 2021-04-20 US disclosed
JP-S57106665-A 3-PYRAZOLECARBOXAMIDE DERIVATIVE, ITS PREPARATION, AND HERBICIDE SHOWA DENKO KK 1982-07-02 JP 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-10981908-B2 Aryl hydrocarbon receptor (AHR) modulator compounds AHR, ARNT, NR1H2 SMN1; SMN2 4755/4885NPC1 872/4885RAB9A 4371/4885

“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.