SCHEMBL3214529

SCHEMBL3214529

CN(C)c1cc(Cl)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
KMT2A Q03164 1/20 0.67
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 1/20 0.44
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAPK1 P28482 3/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.38
FSCN1 Q16658 1/20 0.37

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
SCHEMBL2230513 0.82 GAA (0.96) GAAKMT2ACYP3A4TSHRALDH1A1
Hydrochloric Acid SCHEMBL2217149 0.80 GAA (1.00) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL3789565 0.78 GAA (0.61) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL6423587 0.77 CHKA (0.51) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL20091979 0.77 KMT2A (0.46) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL20353610 0.77 KMT2A (0.46) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL29686513 0.77 KMT2A (0.46) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL21580858 0.77 FSCN1 (0.46) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL1708820 0.76 CHEK1 (0.45) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL1039636 0.76 GAA (0.54) GAAKMT2ACYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802549-B1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-03-01 EP disclosed
WO-2019228940-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-12-05 WO disclosed
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-9468694-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2016-10-18 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
US-20150328344-A1 Fluorination Process GE HEALTHCARE AS (NO) 2015-11-19 US disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
US-9126961-B2 Fluorination process GE HEALTHCARE LIMITED (GB) 2015-09-08 US disclosed
EP-1915330-B1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE HEALTHCARE LTD (GB) 2014-12-10 EP disclosed
US-20130225829-A1 FLUORINATION PROCESS GE HEALTHCARE AS (NO) 2013-08-29 US disclosed
US-20130225829-A1 FLUORINATION PROCESS GE HEALTHCARE AS (NO) 2013-08-29 US disclosed
US-8410312-B2 Fluorination process of anilide derivatives and benzothiazole fluorinate derivatives as in vivo imaging agents GE HEALTHCARE LIMITED (GB) 2013-04-02 US disclosed
US-8410312-B2 Fluorination process of anilide derivatives and benzothiazole fluorinate derivatives as in vivo imaging agents GE HEALTHCARE LIMITED (GB) 2013-04-02 US disclosed
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents GE HEALTHCARE LIMITED (GB) 2010-09-16 US disclosed
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents GE HEALTHCARE LIMITED (GB) 2010-09-16 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007020400-A1 FLUORINATION PROCESS OF ANILIDE DERIVATIVES AND BENZOTHIAZOLE FLUORINATE DERIVATIVES AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2007-02-22 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 (5 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 GAA 3553/4885KMT2A 2341/4885CYP3A4 302/4885
US-20150328344-A1 Fluorination Process CYP2F1, C1R, C1S GAA 1685/4885KMT2A 1861/4885CYP3A4 108/4885
US-20100234611-A1 Fluorination Process of Anilide Derivatives and Benzothiazole Fluorinate Derivatives as in VIVO Imaging Agents Q6ZSR9, AFF1, F9 GAA 1921/4885KMT2A 1522/4885CYP3A4 213/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 GAA 1755/4885KMT2A 1474/4885CYP3A4 177/4885
US-20130225829-A1 FLUORINATION PROCESS CYP2F1, C1R, C1S GAA 1685/4885KMT2A 1861/4885CYP3A4 108/4885

“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.