SCHEMBL26464993

SCHEMBL26464993

COc1cc([N+](=O)[O-])ccc1N1CCC(N2CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
HTR6 P50406 2/20 0.48
HTT P42858 3/20 0.46
DRD2 P14416 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ADRB1 P08588 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL10036263 0.90 MAPT (0.54) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL6606828 0.88 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL31267415 0.88 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL30306155 0.87 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL10036436 0.87 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL25797050 0.87 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL17630806 0.86 SLC6A5 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL16305338 0.85 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL574625 0.84 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL574624 0.84 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1

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-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-05-04 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-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF FLT3, AXL, ABL1 ALDH1A1 2607/4885MAPT 2354/4885SMN1; SMN2 3406/4885

“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.