SCHEMBL4272832

SCHEMBL4272832

CC(=O)Nc1ccc(C(=O)N2CCc3onc(C(=O)O)c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 5/20 0.45
HTT P42858 1/20 0.45
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.43
NAMPT P43490 1/20 0.41
MTHFD2 P13995 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
CRBN Q96SW2 1/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40

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
SCHEMBL2578639 0.83 HSP90AA1 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4259746 0.82 LMNA (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4267349 0.78 HSP90AA1 (0.47) NPC1RAB9AMAPTALDH1A1HSP90AA1
SCHEMBL4267339 0.77 HSP90AA1 (0.46) NPC1RAB9AMAPTALDH1A1HSP90AA1
SCHEMBL4267221 0.77 HPGD (0.55) NPC1RAB9ASMN1; SMN2MAPTHSP90AA1
SCHEMBL5528749 0.76 TSHR (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4270537 0.75 HSP90AA1 (0.46) NPC1RAB9AMAPTHSP90AA1MTHFD2
SCHEMBL3099503 0.74 LMNA (0.53) NPC1RAB9AALDH1A1HSP90AA1HTT
SCHEMBL3078123 0.73 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4267754 0.73 DPP4 (0.45) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 NPC1 1245/4885RAB9A 4445/4885SMN1; SMN2 4525/4885

“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.