SCHEMBL4944989

SCHEMBL4944989

Cn1c(SCCc2noc(-c3cc(F)ccc3F)n2)nnc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
S1PR1 P21453 2/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
PTK2 Q05397 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 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
SCHEMBL1544251 0.84 SMN1; SMN2 (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1544426 0.83 CYP3A4 (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1543879 0.82 POLB (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL6313413 0.81 MEN1 (0.57) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1544241 0.80 KMT2A (0.56) MEN1KMT2AS1PR1LMNAALDH1A1
SCHEMBL1543822 0.79 S1PR1 (0.47) MEN1KMT2AS1PR1LMNAALDH1A1
SCHEMBL1543992 0.77 CYP3A4 (0.67) MEN1KMT2AS1PR1LMNAALDH1A1
SCHEMBL1544729 0.77 KMT2A (0.54) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL1544359 0.76 NPC1 (0.58) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL6259679 0.76 MAPT (0.51) MEN1KMT2ALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 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-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 MEN1 4597/4885KMT2A 1955/4885S1PR1 992/4885

“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.