SCHEMBL207174

SCHEMBL207174

Brc1ccc2n[c]sc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
APP P05067 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DYRK1A Q13627 1/20 0.36
PPARA Q07869 2/20 0.36
BACE1 P56817 1/20 0.34
PABPC1 P11940 1/20 0.33
ADRB2 P07550 1/20 0.33
NT5E P21589 1/20 0.33

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
SCHEMBL207013 0.83 DYRK1A (0.36) HTTRAB9ANPC1APPMAPT
SCHEMBL212513 0.75 MAPT (0.44) RAB9ANPC1APPMAPTALDH1A1
SCHEMBL206103 0.75 SMN1; SMN2 (0.41) HTTRAB9ANPC1APPMAPT
SCHEMBL206753 0.75 GFER (0.44) HTTRAB9ANPC1APPMAPT
SCHEMBL4718799 0.75 SMN1; SMN2 (0.44) HTTRAB9ANPC1APPMAPT
SCHEMBL6601753 0.75 HTT (0.44) HTTAPPMAPTALDH1A1DYRK1A
SCHEMBL20542591 0.74
SCHEMBL5535847 0.72 PIK3CA (0.50) ALDH1A1DYRK1ABACE1
SCHEMBL11122399 0.71 SMN1; SMN2 (0.49) HTTRAB9ANPC1MAPTALDH1A1
SCHEMBL533470 0.71 CYP1A2 (0.49) HTTRAB9ANPC1APPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531631-B Methods and agents for treating diseases 安吉昂生物医药公司 2021-09-03 CN claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
CN-107531631-B Methods and agents for treating diseases 安吉昂生物医药公司 2021-09-03 CN disclosed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
WO-2004002457-A2 CONJUGATES COMPRISING AN NSAID AND A SUGAR AND USES THEREOF A & D BIOSCIENCE, INC. (US) 2004-01-08 WO disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (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-20050020645-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885RAB9A 3294/4885NPC1 3358/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HTT 2635/4885RAB9A 3294/4885NPC1 3358/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HTT 1833/4885RAB9A 2158/4885NPC1 3046/4885

“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.