SCHEMBL3565422

SCHEMBL3565422

CC(C(=O)O)N(S)C(=O)Nc1noc2cccc(F)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.42
TP53 P04637 4/20 0.42
MET P08581 4/20 0.36
KIT P10721 3/20 0.34
KDR P35968 3/20 0.34
FLT3 P36888 2/20 0.34
AURKB Q96GD4 1/20 0.32
EPHX2 P34913 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
KCNA5 P22460 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL2768454 0.89 SMN1; SMN2 (0.40) SMN1; SMN2TP53METKITKDR
SCHEMBL3560647 0.83 KCNA5 (0.36) SMN1; SMN2SGMS2KCNA5
SCHEMBL3565420 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TP53METKITKDR
SCHEMBL2767552 0.74 KCNA5 (0.36) METSGMS2KCNA5
SCHEMBL2439933 0.73 SMN1; SMN2 (0.59) SMN1; SMN2TP53NPC1RAB9AALDH1A1
SCHEMBL2771072 0.72 ALDH1A1 (0.31) SMN1; SMN2AURKBKCNA5NPC1RAB9A
SCHEMBL2438162 0.70 SMN1; SMN2 (0.59) SMN1; SMN2TP53AURKBNPC1RAB9A
SCHEMBL2768450 0.70 MEN1 (0.44) SMN1; SMN2TP53METKITKDR
SCHEMBL2437970 0.68 SMN1; SMN2 (0.54) SMN1; SMN2TP53AURKBNPC1RAB9A
SCHEMBL2770485 0.67 SMN1; SMN2 (0.46) SMN1; SMN2TP53EPHX2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 SMN1; SMN2 1349/4885TP53 4784/4885MET 4863/4885

“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.