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
SCHEMBL17592709 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL26364862 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL2093739 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL543809 0.76 NTRK1 (0.51) NTRK1ALOX5PTGS1PTGS2KDM4E
SCHEMBL2175865 0.76 ALDH1A1 (0.63) KDM4EHPGDSMN1; SMN2TDP1ALDH1A1
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.

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