SCHEMBL4789351

SCHEMBL4789351

c1ccc(-c2cc(-n3c(Cc4cccs4)nc4ccccc43)[nH]n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MAPT P10636 2/20 0.42
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 4/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 5/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL1752838 0.69 MAPT (0.79) MEN1KMT2AAPOBEC3GMAPTKDM4E
SCHEMBL14060010 0.62 LMNA (0.49) MEN1KMT2AAPOBEC3GMAPTHPGD
SCHEMBL27768193 0.62 POLB (0.45) MEN1KMT2AAPOBEC3GMAPTHPGD
SCHEMBL5435914 0.62 MEN1 (1.00) MEN1KMT2AAPOBEC3GMAPTHPGD
SCHEMBL30846491 0.62 KMT2A (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28688757 0.61 LMNA (0.60) KMT2AMAPTKDM4EGLATSHR
SCHEMBL18292584 0.59 MAPT (0.78) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL15655454 0.59 AR (0.51) MAPTALDH1A1LMNASMN1; SMN2HSD17B10
SCHEMBL8022032 0.58 NPC1 (0.65) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL27584986 0.58 NPSR1 (0.52) MAPTHPGDKDM4EALDH1A1TDP1

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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
WO-2008155054-A1 FARNESOID-X-RECEPTOR MUTANTS, AND CRYSTALLISATION THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-12-24 WO 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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D MEN1 3510/4885KMT2A 810/4885APOBEC3G 3875/4885

“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.