SCHEMBL22650293

SCHEMBL22650293

Cc1nc(-c2ccccc2)c(I)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.51
ALOX5 P09917 1/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL22650224 0.82 ALDH1A1 (0.39) NTRK1KDM4EHPGDSMN1; SMN2ALDH1A1
SCHEMBL22650223 0.80 CYP2A6 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL2093741 0.79 ALDH1A1 (0.59) NTRK1ALOX5PTGS1PTGS2HPGD
SCHEMBL526264 0.78 PTGS2 (0.69) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL2175865 0.76 ALDH1A1 (0.63) KDM4EHPGDSMN1; SMN2TDP1ALDH1A1
SCHEMBL2093739 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL17592709 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL543809 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL26364862 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL22650294 0.76 KDM4E (0.51) KDM4ESMN1; SMN2TDP1ALDH1A1MAPT

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 NTRK1 4604/4885ALOX5 1457/4885PTGS1 1164/4885

“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.