SCHEMBL32676377

SCHEMBL32676377

CC(C)(C)c1cc(-c2ncno2)nn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 5/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ NFKB1 P19838 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32

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
SCHEMBL22952406 0.77 HDAC1 (0.30) —
SCHEMBL19625345 0.71 SMN1; SMN2 (0.64) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL16573711 0.70 ALDH1A1 (0.58) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL2608434 0.70 ALDH1A1 (0.61) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL13869061 0.70 ALDH1A1 (0.61) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL23401799 0.68 ALDH1A1 (0.64) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL12859421 0.68 ALDH1A1 (0.59) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL21466344 0.66 ALDH1A1 (0.56) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL12859423 0.66 PTGS1 (0.59) ALDH1A1CNR1CNR2GRNSORT1
SCHEMBL4083414 0.65 ALDH1A1 (1.00) ALDH1A1CNR1CNR2GRNSORT1

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-20260049077-A1 Neurotrophic Receptor Tyrosine Kinase (NTRK) Inhibitors and Methods Using Same BAYLOR COLLEGE MEDICINE (US) 2026-02-19 — — 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-20260049077-A1 Neurotrophic Receptor Tyrosine Kinase (NTRK) Inhibitors and Methods Using Same NTRK2, NTRK3, NTRK1 ALDH1A1 1732/4885CNR1 37/4885CNR2 35/4885

“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.

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