SCHEMBL29396657

SCHEMBL29396657

Fc1ccc(C2=NCCC2)cc1I

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.50
CHRNA3 P32297 12/20 0.50
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 2/20 0.40
NISCH Q9Y2I1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL29399603 0.86 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL22097298 0.79 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL206365 0.76 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL24414772 0.74 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL433117 0.71 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL18985115 0.71 CHRNB4 (0.67) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL4967805 0.71 CHRNB4 (0.57) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL15665457 0.70 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL14047263 0.69 CHRNB4 (0.54) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL1977761 0.69 CHRNB4 (0.54) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof SHANGHAI UNIVERSITY OF MEDICINE & HEALTH SCIENCES (CN) 2024-12-10 US disclosed
US-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI UNIVERSITY OF MEDICINE&HEALTH SCIENCES (CN) 2022-03-10 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-20220072164-A1 RADIOACTIVE I-LABELED LAROTRECTINIB COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF IGF1R, TSHR, TRHR CHRNB4 2453/4885CHRNA3 3061/4885ALDH1A1 3443/4885
US-12161731-B2 Radioactive I-labeled larotrectinib compound and preparation method and application thereof IGF1R, TSHR, TRHR CHRNB4 2453/4885CHRNA3 3061/4885ALDH1A1 3443/4885

“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.