SCHEMBL4869817

SCHEMBL4869817

COc1cc(OC)c2nc(-c3ccc(F)cc3)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.63
AHR P35869 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
F2RL3 Q96RI0 1/20 0.46
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SULT1A1 P50225 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL14507753 0.87 APP (0.64) APPAHRF2RL3GLAGAA
SCHEMBL2137298 0.86 SMN1; SMN2 (0.51) APPF2RL3KDM4ENPC1PKM
SCHEMBL13806237 0.85 APP (0.61) APPAHRGLAGAAKDM4E
SCHEMBL13806222 0.81 ALDH1A1 (0.56) APPAHRF2RL3GLAGAA
SCHEMBL1916983 0.81 APP (0.59) APPAHRCYP1A1CYP1B1KDM4E
SCHEMBL13806279 0.77 APP (1.00) APPGLAGAASULT1A1
SCHEMBL1572680 0.77 APP (1.00) APPGLAGAASULT1A1
SCHEMBL4283052 0.77 APP (0.79) APPAHRGLAGAAKDM4E
SCHEMBL5415087 0.77 KDM4E (0.55) APPGLAGAAKDM4ENPC1
SCHEMBL13806214 0.76 AHR (0.54) APPAHRKDM4ENPC1PKM

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-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS UNIVERSITY OF OITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2009-06-04 US disclosed
US-7335674-B2 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2008-02-26 US disclosed
US-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof IPSEN PHARMA S.A.S. (FR) 2006-06-22 US disclosed
EP-1641789-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-04-05 EP disclosed
WO-2005000843-A2 BENZOTHIAZOLE-4,7-DIONES AND BENZOXAZOLE-4,7-DIONES WITH SUBSTITUENTS IN POSITION 5 OR 6 AND METHOD FOR PRODUCTION THEREOF SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-01-06 WO 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-20060135573-A1 Benzothiazole-4,7-diones and benzoxazole-4,7-diones with substituents in position 5 or 6 and method for production thereof CDC25A, CDC25C, CDC25B APP 4832/4885AHR 3260/4885CYP1A1 1017/4885
US-20090142269-A1 ISOTOYPICALLY-LABELED BENZOTHIAZOLE COMPOUNDS AS IMAGING AGENTS FOR AMYLOIDOGENIC PROTEINS MAPT, TSPO, APP APP 3/4885AHR 568/4885CYP1A1 1724/4885

“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.