SCHEMBL21664089

SCHEMBL21664089

Cc1cccnc1C1=NCCS1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
METAP2 P50579 1/20 0.39
ADRA1A P35348 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ALOX15 P16050 1/20 0.37
CNR2 P34972 1/20 0.36
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 4/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL21663994 0.79 MAPT (0.45) MAPTALDH1A1ATMRAB9ASMN1; SMN2
SCHEMBL21663794 0.79 MAPT (0.42) MAPTALDH1A1ATMRAB9ASMN1; SMN2
SCHEMBL25584892 0.73 NISCH (0.44) MAPTALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL29924154 0.72 CYP2A6 (0.61) CYP2A6MAPTMETAP2NOS3NOS1
SCHEMBL196235 0.72 CYP2A6 (0.61) CYP2A6MAPTMETAP2NOS3NOS1
SCHEMBL31252534 0.72 CYP2A6 (0.61) CYP2A6MAPTMETAP2NOS3NOS1
SCHEMBL11128734 0.71 ALDH1A1 (0.42) MAPTALDH1A1ATMNOS3NOS1
SCHEMBL21664091 0.70 CYP2A6 (0.40) CYP2A6MAPTMETAP2ADRA1ANOS3
SCHEMBL2492257 0.69 KDM4E (0.48) CYP2A6MAPTALDH1A1ATMALOX15
Bromide SCHEMBL2724184 0.68 KDM4E (0.46) CYP2A6MAPTALDH1A1ATMALOX15

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 CYP2A6 4664/4885MAPT 3979/4885ALDH1A1 4809/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 CYP2A6 4664/4885MAPT 3979/4885ALDH1A1 4809/4885

“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.