SCHEMBL24966566

SCHEMBL24966566

C[C@@H](C(=O)OCc1ccccc1)c1cn[nH]c1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.40
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC15A1 P46059 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
ROCK2 O75116 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL24965965 1.00 ALDH1A1 (0.44) ALDH1A1HPGDMAPTHSD17B10KMT2A
SCHEMBL17730705 0.75 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL21563730 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AATMTDP1MAPK1
SCHEMBL28662043 0.73 TDP1 (0.53) ALDH1A1KMT2AATMTDP1MAPK1
SCHEMBL28614171 0.73 ALDH1A1 (0.42) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL6792870 0.72 ALDH1A1 (0.58) ALDH1A1KMT2AATMTDP1MAPK1
SCHEMBL6792877 0.72 ALDH1A1 (0.58) ALDH1A1KMT2AATMTDP1MAPK1
SCHEMBL4007604 0.72 ALDH1A1 (0.58) ALDH1A1KMT2AATMTDP1MAPK1
SCHEMBL20004309 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL24884476 0.71 ATM (0.48) ALDH1A1HPGDMAPTHSD17B10KMT2A

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 ALDH1A1 316/4885HPGD 106/4885MAPT 4171/4885

“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.