SCHEMBL1827781

SCHEMBL1827781

N=C(N)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
RECQL P46063 2/20 0.51
THRB P10828 1/20 0.51
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 2/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ADRA2A P08913 1/20 0.50
FBP1 P09467 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
DRD2 P14416 1/20 0.50

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
SCHEMBL31519040 0.82 RAB9A (0.56) ALDH1A1RECQLTHRBRAB9AHPGD
SCHEMBL369480 0.81 ALDH1A1 (0.62) ALDH1A1RECQLTHRBRAB9AHPGD
Hydrochloric Acid SCHEMBL3492104 0.79 ALDH1A1 (0.60) ALDH1A1RECQLTHRBRAB9AHPGD
Hydrochloric Acid SCHEMBL5009760 0.79 ALDH1A1 (0.60) ALDH1A1RECQLTHRBRAB9AHPGD
SCHEMBL9052767 0.78 THRB (0.57) ALDH1A1RECQLTHRBRAB9AHPGD
Benzothiazyl Disulfide SCHEMBL28300456 0.78 ALDH1A1 (0.79) ALDH1A1RECQLRAB9AHPGDMAPT
SCHEMBL9885425 0.78 ALDH1A1 (0.50) ALDH1A1RECQLTHRBRAB9AHPGD
SCHEMBL14845420 0.78 THRB (0.53) ALDH1A1RECQLTHRBRAB9AHPGD
Hydrochloric Acid SCHEMBL8687465 0.77 NPC1 (0.58) ALDH1A1RAB9AHPGDMAPTNPC1
SCHEMBL1757329 0.77 ALDH1A1 (0.62) ALDH1A1RECQLTHRBRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964954-B1 N'-[(2-chlorobenzoyl)oxy]-1,3-benzothiazole-2-carboximidamide as an antitumor and antimicrobial compound King Faisal University (SA) 2024-04-23 US disclosed
US-11919892-B1 2-(benzo[d]thiazol-2-yl)-N'-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylthio)acetoxy)acetimidamide as an antimicrobial compound King Faisal University (SA) 2024-03-05 US disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
EP-1732527-A2 USE AND ADMINISTRATION OF BACTERIAL EFFLUX PUMP INHIBITORS MPEX PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors REMPEX PHARMACEUTICALS, INC. 2006-12-07 US disclosed
WO-2005089738-A2 USE AND ADMINISTRATION OF BACTERIAL EFFLUX PUMP INHIBITORS MPEX PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
EP-0058286-A1 Geometrical isomers of cyano-guanidines, and processes for their preparation Société de Recherches et de Synthèses Organiques SA (CH) 1982-08-25 EP disclosed
US-4276421-A Cyano-guanidine geometrical isomers SOCIETE DE RECHERCHES ET DE SYNTHESES ORGANIQUES S.A. (CH) 1981-06-30 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 (3 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-11919892-B1 2-(benzo[d]thiazol-2-yl)-N'-(2-(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylthio)acetoxy)acetimidamide as an antimicrobial compound AADAC, NIT2, B3GNT2 ALDH1A1 605/4885RECQL 3969/4885THRB 3482/4885
US-20060276473-A1 Use and administration of bacterial efflux pump inhibitors ABCB11, ABCC1, ABCB1 ALDH1A1 2447/4885RECQL 247/4885THRB 3556/4885
US-11964954-B1 N'-[(2-chlorobenzoyl)oxy]-1,3-benzothiazole-2-carboximidamide as an antitumor and antimicrobial compound CASP2, NCBP1, NOC2L ALDH1A1 1515/4885RECQL 4377/4885THRB 4086/4885

“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.