SCHEMBL20041206

SCHEMBL20041206

O=C(O)Cc1ccc2ncoc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.77
MEN1 O00255 2/20 0.77
ALDH1A1 P00352 2/20 0.77
KMT2A Q03164 2/20 0.77
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.49
RGS12 O14924 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
GNAI1 P63096 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
SCHEMBL1892817 0.87 GAA (1.00) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL30636606 0.87 GAA (1.00) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL15887331 0.85 GAA (0.56) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL12053302 0.79 GAA (0.50) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL6598569 0.79 MEN1 (0.47) GAAMEN1ALDH1A1KMT2ANPC1
Phenylacetic Acid SCHEMBL10765351 0.79 GAA (0.65) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL20564248 0.78 ALDH1A1 (0.49) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL28063797 0.76 MEN1 (0.45) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL355077 0.75 DYRK1A (0.49) GAAMEN1ALDH1A1KMT2ANPC1
SCHEMBL3815115 0.75 DYRK1A (0.45) GAAMEN1ALDH1A1KMT2ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 SLOAN KETTERING INST CANCER RES (US) 2023-03-02 US disclosed
EP-3305297-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITION OF HSP90 Sloan-Kettering Institute for Cancer Research (US) 2018-04-11 EP disclosed
CN-1345314-A Amine derivatives as protease inhibitors AXYS PHARM INC (US) 2002-04-17 CN 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-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 HSP90B1, HSP90AB1, HSP90AB2P GAA 219/4885MEN1 4707/4885ALDH1A1 1998/4885

“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.