SCHEMBL21663992

SCHEMBL21663992

c1cnc2ccc(C3=NCCS3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
POLB P06746 2/20 0.59
DYRK1A Q13627 2/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
ATM Q13315 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.43
GSK3B P49841 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL21664090 0.80 PDGFRB (0.53) SMN1; SMN2LMNACYP1A2NISCHPIK3CD
SCHEMBL28434848 0.79 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1MAPTATM
SCHEMBL29757180 0.76 NPC1 (1.00) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL30743 0.76 NPC1 (1.00) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL28192579 0.72 NPC1 (0.74) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL28168613 0.71 NPC1 (0.80) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL27741210 0.70 NPC1 (0.59) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL12363751 0.70 NPC1 (0.59) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL443618 0.70 NPC1 (0.84) NPC1RAB9APOLBDYRK1AALDH1A1
SCHEMBL18941921 0.70 NPC1 (0.84) NPC1RAB9APOLBDYRK1AALDH1A1

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 NPC1 209/4885RAB9A 2314/4885POLB 4749/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 NPC1 209/4885RAB9A 2314/4885POLB 4749/4885

“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.