SCHEMBL5027039

SCHEMBL5027039

NC(=O)c1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
GAA P10253 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 2/20 0.51
APP P05067 2/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
SNCA P37840 1/20 0.51
CASP7 P55210 1/20 0.51

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
SCHEMBL698939 0.86 MAPT (0.64) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL9342707 0.84 MAPT (0.63) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL11372271 0.84 MAPT (0.63) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL15478266 0.84 MAPT (0.67) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29787 0.84 MAPT (0.52) MAPTNPC1RAB9AKDM4EGAA
SCHEMBL5768391 0.84 MAPT (0.57) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL21681975 0.84 MAPT (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28607456 0.83 MAPT (0.61) MAPTNPC1RAB9AKDM4EALDH1A1
Zinc Ion SCHEMBL5015955 0.83 MAPT (0.61) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL21682172 0.82 RAB9A (0.47) MAPTNPC1RAB9AKDM4EALDH1A1

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
CN-108299413-A A method of no metal catalytic prepares 2- (aminocarbonyl phenyl) benzoxazoles and its derivative 复旦大学 2018-07-20 CN disclosed
US-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2015-06-04 US disclosed
US-8993604-B2 Treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2015-03-31 US disclosed
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-10-11 US disclosed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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 (4 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-20150150852-A1 TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS HAVCR2, TTPA, CHIA MAPT 118/4885NPC1 672/4885RAB9A 1714/4885
US-20120258079-A1 Treatment and Prevention of Dengue Virus Infections HAVCR2, TTPA, CHIA MAPT 118/4885NPC1 672/4885RAB9A 1714/4885
US-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3262/4885NPC1 421/4885RAB9A 1479/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 MAPT 3619/4885NPC1 237/4885RAB9A 900/4885

“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.