SCHEMBL880417

SCHEMBL880417

Cc1ccc(/C=N/Nc2nc3cc(Cl)ccc3[nH]2)o1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.83
▸ NPC1 O15118 15/20 0.83
▸ RAB9A P51151 14/20 0.83
▸ GAA P10253 13/20 0.83
▸ SMN1; SMN2 Q16637 12/20 0.83
▸ KMT2A Q03164 9/20 0.83
▸ MEN1 O00255 8/20 0.83
▸ TDP1 Q9NUW8 5/20 0.83
▸ GFER P55789 3/20 0.83
▸ CYP1A2 P05177 1/20 0.83
▸ CYP3A4 P08684 1/20 0.83
▸ CYP2D6 P10635 1/20 0.83
▸ CYP2C9 P11712 1/20 0.83
▸ CYP2C19 P33261 1/20 0.83
▸ ALDH1A1 P00352 5/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPK1 P28482 6/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ THRB P10828 1/20 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
SCHEMBL880225 0.86 RAB9A (0.65) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL23657817 0.81 MAPT (0.58) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL880213 0.73 MAPT (0.61) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4151151 0.69 HRH4 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23906527 0.69 MAPT (0.79) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL880343 0.68 MAPT (0.42) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL18906377 0.68 ALDH1A1 (0.47) MAPTNPC1RAB9AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL28371344 0.68 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL4159988 0.68 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL19914253 0.67 RAB9A (0.40) MAPTNPC1RAB9AGAASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 — — US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 — — US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 — — US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 — — EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 — — 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT MAPT 30/4885NPC1 2064/4885RAB9A 912/4885

“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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