SCHEMBL23719206

SCHEMBL23719206

C/C(=N\NC(=O)c1ccccc1O)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
GAA P10253 7/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
PKM P14618 2/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 2/20 0.58
KDM1A O60341 1/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MTOR P42345 1/20 0.56
KDM4E B2RXH2 2/20 0.56

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
SCHEMBL5809772 0.89 KDM1A (0.74) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL5809768 0.89 KDM1A (0.74) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL23719304 0.88 RAB9A (0.80) NPC1RAB9ACTDSP1GAAKMT2A
SCHEMBL27178021 0.86 ATM (0.74) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL27178027 0.86 ATM (0.74) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL27178266 0.84 CYP3A4 (0.80) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL10805645 0.84 NPC1 (0.67) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL27178271 0.84 CYP3A4 (0.80) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL27177982 0.84 NPC1 (0.67) NPC1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL1638785 0.84 RAB9A (0.70) NPC1RAB9ACTDSP1GAAKMT2A

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-20210238140-A1 Compounds for Targeting Cancer Stem Cells THE GENERAL HOSPITAL CORPORATION 2021-08-05 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-20210238140-A1 Compounds for Targeting Cancer Stem Cells G3BP1, G3BP2, HMGB2 NPC1 1728/4885RAB9A 2930/4885CTDSP1 1663/4885

“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.