SCHEMBL4941807

SCHEMBL4941807

CCn1c(-c2ccco2)nnc1C(S)N1C=C(c2cc(C#N)ccc2F)ON1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 3/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
GRM5 P41594 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL4946807 0.90 MAPT (0.32) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL4947616 0.85 MAPT (0.35) ALDH1A1TSHRKDM4EMAPTHTT
SCHEMBL4946016 0.85 KMT2A (0.34) TSHRKMT2AGRM5
SCHEMBL4941811 0.79 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL4941963 0.77 KDM4E (0.35) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL4945234 0.71 CDK2 (0.33) GRM5
SCHEMBL4946813 0.70 MAPT (0.42) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1544679 0.70 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL4945524 0.69 MAPT (0.33) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1
SCHEMBL1544049 0.69 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2KDM4ETDP1

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 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 (3 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885TSHR 895/4885SMN1; SMN2 1409/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885TSHR 895/4885SMN1; SMN2 1409/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885TSHR 895/4885SMN1; 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.