SCHEMBL24965674

SCHEMBL24965674

Cc1cc2c([nH]1)CC(N)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PLAU P00749 1/20 0.41
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
OPRK1 P41145 1/20 0.40
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
ADRA1A P35348 1/20 0.36

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
SCHEMBL15984747 0.79 CYP2A6 (0.37) ALDH1A1
SCHEMBL15980348 0.68 ALDH1A1 (0.37) MAPTALDH1A1KDM4E
SCHEMBL12844664 0.67
SCHEMBL7959781 0.67 ALDH1A1 (0.46) MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL23732014 0.67 NR2E1 (0.36) HTR1BHTR1DNR2E1
SCHEMBL18134266 0.66 MAPT (0.75) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL21284842 0.66 ALDH1A1 (0.46) MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL21040049 0.66 ALDH1A1 (0.46) MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL21040050 0.66 ALDH1A1 (0.46) MAPTHSD17B10ALDH1A1KDM4E
SCHEMBL21040048 0.66 ALDH1A1 (0.46) MAPTHSD17B10ALDH1A1KDM4E

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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 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-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 MAPT 4171/4885NFKB1 2337/4885THPO 3750/4885

“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.