SCHEMBL22650294

SCHEMBL22650294

Cc1nc(-c2ccccn2)c(I)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 2/20 0.47
LMNA P02545 2/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
PDE10A Q9Y233 1/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL12111614 0.84 KDM4E (0.53) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL13078802 0.81 KDM4E (0.50) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL22650293 0.76 NTRK1 (0.51) KDM4ERAB9AMAPTPOLBCYP1A2
Bromide SCHEMBL9368482 0.74 TGFBR1 (0.49) KDM4ENPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL25437206 0.71 KDM4E (0.46) KDM4ENPC1RAB9ALMNATP53
SCHEMBL18236296 0.71 TGFBR1 (0.49) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL14777502 0.71 KDM4E (0.51) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL323086 0.71 KDM4E (0.68) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL22650224 0.70 ALDH1A1 (0.39) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL11796387 0.70 TGFBR1 (0.56) KDM4ENPC1RAB9AMAPTGLA

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 KDM4E 2976/4885NPC1 3254/4885RAB9A 2626/4885

“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.