SCHEMBL880379

SCHEMBL880379

O=C1CN=C(Nc2nc3ccccc3o2)N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.53
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
GALK1 P51570 8/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.51
TAAR1 Q96RJ0 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.49
CHRNA7 P36544 1/20 0.49
HTR3A P46098 1/20 0.49
TP53 P04637 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL15022003 0.76 RAB9A (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8217786 0.75 RAB9A (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL8154846 0.72 ADRA2A (0.60) SMN1; SMN2ALDH1A1NPSR1GAATDP1
SCHEMBL21162648 0.70 TP53 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL2658434 0.70 NPC1 (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL14029256 0.70 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL14823875 0.69 GALK1 (1.00) SMN1; SMN2ALDH1A1NPSR1GALK1TDP1
SCHEMBL10639656 0.68 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL880253 0.67 TDP1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9911667 0.67 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1

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 10 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-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 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
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 (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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT RAB9A 912/4885NPC1 2064/4885SMN1; SMN2 41/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX RAB9A 4546/4885NPC1 3013/4885SMN1; SMN2 4680/4885

“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.