SCHEMBL6483368

SCHEMBL6483368

Clc1ccc2nc(-c3cc(-c4ccccc4)no3)cn2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.74
NPC1 O15118 12/20 0.74
MAPT P10636 3/20 0.74
KDM4E B2RXH2 6/20 0.57
PKM P14618 2/20 0.57
KLF5 Q13887 1/20 0.57
ALDH1A1 P00352 7/20 0.57
ALDH1A3 P47895 3/20 0.57
CASP3 P42574 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A2 O94788 1/20 0.49
APP P05067 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 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
SCHEMBL2404662 0.83 RAB9A (1.00) RAB9ANPC1MAPTKDM4EPKM
SCHEMBL3433580 0.77 NR4A2 (0.65) RAB9ANPC1MAPTKDM4EPKM
SCHEMBL28670403 0.74 RAB9A (1.00) RAB9ANPC1CASP3SMN1; SMN2SENP8
SCHEMBL4501121 0.73 RAB9A (0.60) RAB9ANPC1MAPTKDM4EPKM
SCHEMBL1691409 0.73 RAB9A (1.00) RAB9ANPC1MAPTKDM4EPKM
SCHEMBL16246713 0.73 ALDH1A3 (1.00) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL13325769 0.73 ALDH1A3 (1.00) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL3027391 0.72 RAB9A (0.68) RAB9ANPC1MAPTKDM4EPKM
SCHEMBL23657665 0.71 ALDH1A1 (0.69) RAB9ANPC1MAPTKDM4EPKM
SCHEMBL13325714 0.71 RAB9A (0.69) RAB9ANPC1MAPTKDM4EPKM

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 2 patents. 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
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 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 (2 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 RAB9A 1787/4885NPC1 147/4885MAPT 7/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE RAB9A 107/4885NPC1 1326/4885MAPT 4578/4885

“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.