SCHEMBL2585341

SCHEMBL2585341

COCCOc1cc(C(=O)O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 9/20 0.50
KDM2A Q9Y2K7 4/20 0.50
KDM3A Q9Y4C1 4/20 0.50
KDM4E B2RXH2 4/20 0.50
KDM6B O15054 3/20 0.50
KDM5C P41229 3/20 0.50
KDM5A P29375 5/20 0.47
KDM5B Q9UGL1 5/20 0.47
KDM4A O75164 2/20 0.47
KDM4D Q6B0I6 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TET3 O43151 1/20 0.47
BBOX1 O75936 1/20 0.47
MAPT P10636 1/20 0.47
ASPH Q12797 1/20 0.47
TET2 Q6N021 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47
KDM8 Q8N371 1/20 0.47
TET1 Q8NFU7 1/20 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
SCHEMBL30464945 1.00 KDM4C (0.50) KDM4CKDM2AKDM3AKDM4EKDM6B
SCHEMBL13490849 0.92 KDM4C (0.49) KDM4CKDM2AKDM3AKDM4EKDM6B
SCHEMBL2590131 0.86 KDM4E (0.53) KDM4CKDM2AKDM3AKDM4EKDM6B
SCHEMBL17276016 0.86 IKBKB (0.47) KDM5CKDM5BACACBLOXL2
SCHEMBL25049489 0.85 KDM4C (0.57) KDM4CKDM2AKDM3AKDM4EKDM6B
SCHEMBL12800159 0.84 KDM4C (0.45) KDM4CKDM2AKDM3AKDM4EKDM6B
SCHEMBL17412498 0.84 PLA2G2A (0.55) KDM4CKDM5AKDM5BALDH1A1
SCHEMBL31729821 0.84 TP53 (0.55) KDM4CKDM5AKDM5B
SCHEMBL2546283 0.83 KDM4C (0.50) KDM4CKDM2AKDM3AKDM4EKDM6B
SCHEMBL1992514 0.81 MAPT (0.57) KDM4CKDM2AKDM3AKDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416238-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-28 US disclosed
EP-4247810-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP disclosed
CN-116529246-A N- [ (1, 3-benzoxazol-2-yl) -heterocycle ] amide derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-08-01 CN disclosed
WO-2022106680-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO disclosed
WO-2022106680-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-8598164-B2 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-03 US disclosed
EP-2595989-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-05-29 EP disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 WO disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 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 (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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 KDM4C 2460/4885KDM2A 2064/4885KDM3A 3220/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KDM4C 2460/4885KDM2A 2064/4885KDM3A 3220/4885
US-20230416238-A1 N-[(1,3-BENZOXAZOL-2-YL)-HETEROCYCLE]AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION CYP2E1, HAVCR2, CYP4X1 KDM4C 723/4885KDM2A 2165/4885KDM3A 1219/4885

“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.