SCHEMBL22650222

SCHEMBL22650222

Cc1nc(-c2cccs2)c(I)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RPS6KB2 Q9UBS0 4/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
QPCT Q16769 1/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 4/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 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
SCHEMBL8472593 0.81 MAPT (0.51) MEN1KMT2ARPS6KB2MAPTKDM4E
SCHEMBL10702969 0.79 ADORA2A (0.45) MEN1KMT2ARPS6KB2MAPTKDM4E
SCHEMBL25558476 0.73 FBP1 (0.48) MEN1KMT2ARPS6KB2MAPTKDM4E
SCHEMBL22650293 0.72 NTRK1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27016991 0.71 KDM4E (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22650224 0.70 ALDH1A1 (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22650294 0.68 KDM4E (0.51) KMT2AMAPTKDM4EALDH1A1TDP1
SCHEMBL29518891 0.68 MEN1 (0.67) MEN1KMT2ARPS6KB2MAPTKDM4E
SCHEMBL6236081 0.67 RPS6KB2 (0.70) MEN1KMT2ARPS6KB2MAPTKDM4E
SCHEMBL22650223 0.66 CYP2A6 (0.49) ALDH1A1NPC1RAB9A

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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT FUJIFILM CORPORATION (JP) 2020-11-12 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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT CYP1B1, CYP1A1, NAT1 MEN1 20/4885KMT2A 1097/4885RPS6KB2 2972/4885

“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.