SCHEMBL22708002

SCHEMBL22708002

CNCCCc1ccc2ncsc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9176879 0.83 NPC1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27610369 0.81 CLK1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19728636 0.81 NPC1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29221351 0.80 CLK1 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5534699 0.80 NPC1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4943705 0.80 DYRK1A (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL360535 0.80 NPC1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14532294 0.79 NPC1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20511818 0.79 NPC1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5542288 0.78 NPC1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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-11059850-B2 Spirobicyclic analogues JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US disclosed
US-20200369707-A1 NOVEL SPIROBICYCLIC ANALOGUES VRIJE UNIVERSITEIT BRUSSEL (BE) 2020-11-26 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 (2 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-20200369707-A1 NOVEL SPIROBICYCLIC ANALOGUES PRMT5, SIRT5, HDAC5 MEN1 1073/4885KMT2A 224/4885NPC1 2934/4885
US-11059850-B2 Spirobicyclic analogues PRMT5, HDAC5, SIRT5 MEN1 849/4885KMT2A 251/4885NPC1 2491/4885

“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.