SCHEMBL24937185

SCHEMBL24937185

O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1nccn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
FAAH O00519 1/20 0.57
MGLL Q99685 1/20 0.57
MAPT P10636 9/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
POLB P06746 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 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
SCHEMBL27783156 0.87 AKR1C3 (0.85) AKR1C3FAAHMGLLMAPTALDH1A1
SCHEMBL15271096 0.81 AKR1C3 (0.76) AKR1C3FAAHMGLLMAPTALDH1A1
SCHEMBL24937862 0.80 AKR1C3 (0.62) AKR1C3FAAHMGLLMAPTALDH1A1
SCHEMBL5466738 0.80 SIRT6 (0.79) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24937721 0.80 AKR1C3 (0.63) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24937183 0.80 AKR1C3 (0.65) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1393155 0.79 AKR1C3 (0.68) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6151230 0.78 SIRT6 (0.81) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15271381 0.78 SIRT6 (0.81) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL626155 0.78 AKR1C3 (0.67) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA

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 AKR1C3 689/4885FAAH 3853/4885MGLL 2443/4885

“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.