SCHEMBL21663751

SCHEMBL21663751

N#Cc1cn2cc(-c3cccc(I)c3)ncc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 3/20 0.39
METAP2 P50579 1/20 0.38
CTSS P25774 1/20 0.35
EGLN2 Q96KS0 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
APP P05067 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.31
POLB P06746 1/20 0.31
GFER P55789 1/20 0.31
IDO1 P14902 1/20 0.31
CYP11B1 P15538 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
SCHEMBL21689373 0.85 CTSS (0.43) ALDH1A3METAP2CTSSALDH1A1KDM4E
SCHEMBL21663752 0.85 ALDH1A3 (0.49) ALDH1A3ALDH1A1KDM4ENPC1MAPT
SCHEMBL21639084 0.84 CTSS (0.41) ALDH1A3METAP2CTSSALDH1A1KDM4E
SCHEMBL21663959 0.76 GRM5 (0.40) ALDH1A3APPGRM5
SCHEMBL21663966 0.76 NPC1 (0.39) ALDH1A3METAP2CTSSKDM4ENPC1
SCHEMBL21664098 0.74
SCHEMBL12778122 0.70 EGLN2 (0.31) EGLN2
SCHEMBL7941806 0.69 KCNH2 (0.34) EGLN2GRM5
SCHEMBL21663762 0.68 SMN1; SMN2 (0.46) METAP2EGLN2ALDH1A1KDM4EAPP
SCHEMBL4905641 0.67 HSD17B1 (0.62) METAP2CHRNB4CHRNA3APPKDM1A

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-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 ALDH1A3 4766/4885METAP2 241/4885CTSS 2496/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 ALDH1A3 4766/4885METAP2 241/4885CTSS 2496/4885

“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.