SCHEMBL24937772

SCHEMBL24937772

O=C(N1CCN(c2nc3ccccc3s2)CC1)n1nccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
MAPT P10636 5/20 0.64
LMNA P02545 5/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 4/20 0.61
HTT P42858 2/20 0.61
ALOX15 P16050 2/20 0.61
TSHR P16473 2/20 0.61
CASP1 P29466 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPK1 P28482 1/20 0.61
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
STAT3 P40763 2/20 0.57
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 1/20 0.54
NAAA Q02083 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL24937195 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL24937771 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18711482 0.81 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3069004 0.78 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18701805 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL15940856 0.77 NPC1 (0.80) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL20964558 0.76 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL10219244 0.75 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3575472 0.75 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL18711500 0.75 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPTLMNA

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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND THE UNIVERSITY OF TOKYO (JP) 2023-01-26 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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND UTS2R, TAS1R1, ULK3 NPC1 3223/4885RAB9A 3424/4885SMN1; SMN2 4875/4885

“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.