SCHEMBL6494869

SCHEMBL6494869

C/C(=C\c1ccc(N)cc1)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ GFER P55789 2/20 1.00
▸ MAPT P10636 7/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ POLB P06746 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ THRB P10828 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPSR1 Q6W5P4 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47

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
SCHEMBL6494873 1.00 NPC1 (1.00) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL4274067 0.78 NPC1 (0.63) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL4274072 0.78 NPC1 (0.63) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL4274076 0.78 NPC1 (0.63) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL25482031 0.74 NPC1 (0.58) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL7406207 0.73 AURKA (0.59) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL1765847 0.72 AURKA (0.63) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL30999512 0.72 NPC1 (0.56) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL26762344 0.71 RAB9A (0.55) NPC1RAB9AGFERMAPTALDH1A1
SCHEMBL6481418 0.70 NPC1 (0.76) NPC1RAB9AGFERMAPTALDH1A1

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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 — — 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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP NPC1 147/4885RAB9A 1787/4885GFER 2026/4885

“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.

Send feedback