SCHEMBL4944569

SCHEMBL4944569

CCn1c(SCN2C=C(c3cc(F)cc(C#N)c3)ON2)nnc1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
TSHR P16473 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 2/20 0.42
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL4938300 0.89 MAPT (0.46) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4941811 0.87 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4946813 0.86 MAPT (0.42) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4941967 0.81 MEN1 (0.47) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4944567 0.79 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL1543944 0.78 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4945592 0.74 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4946020 0.74 KMT2A (0.48) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10
SCHEMBL4947514 0.74 TSHR (0.38) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL4947623 0.73 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2MAPTHSD17B10

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 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.