SCHEMBL3045451

SCHEMBL3045451

COc1ccc(Oc2ccccc2)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 2/20 0.63
THRB P10828 1/20 0.63
LTA4H P09960 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAOB P27338 1/20 0.50
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.50
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 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
SCHEMBL15938210 0.90 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL5312459 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTLTA4H
SCHEMBL9271567 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL24751492 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL24750329 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL24750250 0.83 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL24751466 0.83 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL31009385 0.83 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL31694793 0.83 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL24749623 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTTHRB

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 WO disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-29 US disclosed
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-08 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1303272-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PARKINSON'S DISEASE HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-10 US disclosed
US-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 US disclosed
WO-2002047690-A1 SUBSTITUTED 2-ARYL-4-ARYLAMINOPYRIMIDINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-06-20 WO disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO disclosed
US-4783472-A 1H,3H-pyrrol[1,2-c]thiazole derivatives and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1988-11-08 US disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP 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 (10 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-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885MEN1 4497/4885KMT2A 3263/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885MEN1 4586/4885KMT2A 3309/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885MEN1 4497/4885KMT2A 3263/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA ALDH1A1 2096/4885MEN1 4484/4885KMT2A 3909/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885MEN1 4497/4885KMT2A 3263/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ALDH1A1 364/4885MEN1 2257/4885KMT2A 302/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA ALDH1A1 425/4885MEN1 4288/4885KMT2A 1392/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885MEN1 4586/4885KMT2A 3309/4885
US-20030069239-A1 Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof API5, CASP2, APAF1 ALDH1A1 176/4885MEN1 3698/4885KMT2A 3054/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885MEN1 4497/4885KMT2A 3263/4885

“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.