SCHEMBL6412476

SCHEMBL6412476

O=c1[c]cn(-c2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 3/20 0.39
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
TSHR P16473 1/20 0.37
MPI P34949 1/20 0.37
MGLL Q99685 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL482140 0.65 SMN1; SMN2 (1.00) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL9299526 0.62 SMN1; SMN2 (0.53) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL4544224 0.62 SMN1; SMN2 (0.64) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL11775647 0.61 SMN1; SMN2 (0.47) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL5963314 0.61 HPGD (0.68) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL3655311 0.61 TSHR (0.48) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL7772227 0.60 TSHR (0.42) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL8128786 0.58 GSK3A (0.54) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL1232067 0.57 TSHR (0.48) SMN1; SMN2GAAGSK3AGSK3BTSHR
SCHEMBL265945 0.57 SMN1; SMN2 (0.52) SMN1; SMN2GAAGSK3AGSK3BTSHR

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
US-20050215487-A1 Conjugates comprising an nsaid and a sugar and uses thereof HOLICK MICHAEL F 2005-09-29 US disclosed
US-4997919-A Azo direct dyes containing a non-reactive triazinyl moiety CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
EP-0348344-A1 Azo dyes CIBA-GEIGY AG (CH) 1989-12-27 EP 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-20050215487-A1 Conjugates comprising an nsaid and a sugar and uses thereof FUT6, FUT5, CD44 SMN1; SMN2 2487/4885GAA 383/4885GSK3A 3372/4885

“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.