SCHEMBL4946813

SCHEMBL4946813

CCn1c(SCN2C=C(c3cc(C#N)ccc3O)ON2)nnc1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 9/20 0.42
TSHR P16473 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4941811 0.91 ALDH1A1 (0.45) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL4938300 0.87 MAPT (0.46) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL4944569 0.86 ALDH1A1 (0.43) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL4946807 0.80 MAPT (0.32) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL1544681 0.79 ALDH1A1 (0.49) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL4941967 0.78 MEN1 (0.47) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL4947623 0.76 TSHR (0.46) MAPTALDH1A1TSHRKMT2APKM
SCHEMBL4946020 0.76 KMT2A (0.48) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL4947019 0.74 TSHR (0.47) MAPTALDH1A1TSHRKMT2APKM
SCHEMBL4940633 0.72 TSHR (0.51) MAPTALDH1A1TSHRKMT2APOLB

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 MAPT 780/4885ALDH1A1 3875/4885TSHR 895/4885

“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.