SCHEMBL845767

SCHEMBL845767

O=C(O)c1ccnc(CCl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.55
KDM5C P41229 7/20 0.55
KDM4E B2RXH2 5/20 0.55
KDM4A O75164 5/20 0.55
KDM5B Q9UGL1 5/20 0.55
KDM6B O15054 4/20 0.55
KDM2A Q9Y2K7 4/20 0.55
KDM3A Q9Y4C1 4/20 0.55
KDM5A P29375 3/20 0.55
KDM4D Q6B0I6 2/20 0.55
TET3 O43151 1/20 0.55
BBOX1 O75936 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
ASPH Q12797 1/20 0.55
TET2 Q6N021 1/20 0.55
ALKBH5 Q6P6C2 1/20 0.55
KDM7A Q6ZMT4 1/20 0.55
KDM8 Q8N371 1/20 0.55
TET1 Q8NFU7 1/20 0.55

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
SCHEMBL31191238 1.00 KDM4C (0.55) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL481039 0.85 KDM4C (0.52) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL5559240 0.85 CYP1A2 (0.40) KDM4CKDM5CKDM4EKDM4AKDM5B
Hydrochloric Acid SCHEMBL4774803 0.83 CYP1A2 (0.39) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL12640033 0.83 CYP1A2 (0.42) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL5566822 0.83 CYP1A2 (0.46) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL7670706 0.82 KDM4C (0.57) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL2305108 0.82 KDM4C (0.57) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL12252467 0.81 GABRP (0.58) KDM4CKDM5CKDM4EKDM4AKDM5B
SCHEMBL1647272 0.81 CYP1A2 (0.61) KDM4CKDM5CKDM4EKDM4AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
US-10407440-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-09-10 US disclosed
EP-3478676-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE Orion Corporation (FI) 2019-05-08 EP disclosed
EP-3378860-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2018-09-26 EP disclosed
EP-2433938-B1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2018-04-18 EP disclosed
CN-104606190-B Agent for treating involuntary movement 协和发酵麒麟株式会社 2018-01-19 CN disclosed
WO-2018002437-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2018-01-04 WO disclosed
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS KYOWA KIRIN CO., LTD. (JP) 2017-09-28 US disclosed
US-9714257-B2 Therapeutic agent for motor disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-25 US disclosed
EP-2474544-B1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-12 EP disclosed
US-6992083-B2 deiodination/arylation, acylation or hydrogenation of a substituted 4-methoxy-bezoxazole derivative; adenosine receptor ligands; Parkinson's and Alzheimer's Diseases; 2-Chloromethyl-N-[7-(4-fluoro-phenyl)-4-methoxy-benzooxazol-2-yl]-isonicotinamide HOFFMAN-LA ROCHE INC. (US) 2006-01-31 US disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
EP-1587799-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-26 EP disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 US disclosed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 US disclosed
US-20040152702-A1 Benzoxazol derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-05 US disclosed
WO-2004063177-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-29 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 (6 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-20040152702-A1 Benzoxazol derivatives P2RX3, P2RX2, P2RX1 KDM4C 2406/4885KDM5C 2407/4885KDM4E 2939/4885
US-10407440-B2 Therapeutic agent for motor disorders DDT, COMT, SLC6A3 KDM4C 4809/4885KDM5C 4811/4885KDM4E 4721/4885
US-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 KDM4C 4188/4885KDM5C 3907/4885KDM4E 2640/4885
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 KDM4C 4701/4885KDM5C 4283/4885KDM4E 4368/4885
US-20170275296-A1 THERAPEUTIC AGENT FOR MOTOR DISORDERS DDT, COMT, SLC6A3 KDM4C 4809/4885KDM5C 4811/4885KDM4E 4721/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 KDM4C 4107/4885KDM5C 4465/4885KDM4E 3799/4885

“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.