SCHEMBL4947013

SCHEMBL4947013

CCn1c(-c2cccs2)nnc1C(S)N1C=C(c2cc(C)ccc2O)ON1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MEN1 O00255 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 9/20 0.36
NFKB1 P19838 1/20 0.36
AHR P35869 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 8/20 0.34
TSHR P16473 3/20 0.34
HTT P42858 3/20 0.34
POLB P06746 3/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL4945524 0.87 MAPT (0.33) KMT2ALMNASMN1; SMN2MEN1TDP1
SCHEMBL4939460 0.80 LMNA (0.34) KMT2ALMNASMN1; SMN2TDP1MAPT
SCHEMBL4947616 0.79 MAPT (0.35) LMNAMAPTALDH1A1TSHRHTT
SCHEMBL4946036 0.79 LMNA (0.35) LMNASMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL4947019 0.78 TSHR (0.47) KMT2ALMNASMN1; SMN2TDP1MAPT
SCHEMBL1544019 0.76 RXFP1 (0.39) KMT2ALMNASMN1; SMN2MEN1TDP1
SCHEMBL4946151 0.72 CYP3A4 (0.32) GAACYP3A4
SCHEMBL4940633 0.71 TSHR (0.51) KMT2ALMNASMN1; SMN2MAPTALDH1A1
SCHEMBL1544542 0.69 RXFP1 (0.39) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL4945529 0.67 LMNA (0.44) KMT2ALMNASMN1; SMN2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KMT2A 2030/4885LMNA 4509/4885SMN1; SMN2 1409/4885

“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.