SCHEMBL24937812

SCHEMBL24937812

O=C(N1CCc2ccccc21)n1ccnn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.59
TSHR P16473 4/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT3 P40763 1/20 0.51
POLB P06746 2/20 0.50
ALOX15 P16050 1/20 0.50
NR4A1 P22736 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL24937798 0.91 NOTUM (0.61) NOTUMTSHRALDH1A1HPGDGAA
SCHEMBL24937776 0.82 NOTUM (0.51) NOTUMTSHRALDH1A1GAAMAPT
SCHEMBL29804966 0.82 NOTUM (0.72) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL17117378 0.82 NOTUM (0.72) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL24937200 0.80 NOTUM (0.63) NOTUMLMNAGAAPOLB
SCHEMBL24937163 0.79 NOTUM (0.42) NOTUMTSHRALDH1A1LMNAGAA
SCHEMBL24937731 0.78 NOTUM (0.58) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL24937769 0.78 NOTUM (0.58) NOTUMALDH1A1HPGDLMNAGAA
SCHEMBL5648271 0.77 NOTUM (0.53) NOTUMTSHRALDH1A1HPGDLMNA
SCHEMBL396037 0.75 NOTUM (1.00) NOTUMTSHRALDH1A1HPGDLMNA

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 NOTUM 1450/4885TSHR 67/4885ALDH1A1 1950/4885

“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.