SCHEMBL5342000

SCHEMBL5342000

CCOC(=O)Nc1cncc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F2R P25116 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3310873 0.89 KDM4E (0.56) SMN1; SMN2KDM4EHSD17B10POLBCYP1A2
SCHEMBL17199511 0.84 KDM4E (0.51) SMN1; SMN2KDM4EHSD17B10POLBCYP1A2
SCHEMBL23771028 0.83 HTT (0.44) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL28467090 0.82 KDM4E (0.60) SMN1; SMN2KDM4ENPSR1HSD17B10POLB
SCHEMBL17174227 0.80 KDM4E (0.48) SMN1; SMN2KDM4EHSD17B10POLBCYP1A2
SCHEMBL17174934 0.80 KDM4E (0.48) SMN1; SMN2KDM4EHSD17B10POLBCYP1A2
SCHEMBL29428097 0.80 CYP2C9 (0.60) SMN1; SMN2KDM4EHSD17B10POLBCYP1A2
SCHEMBL24202501 0.79 KDM4E (0.47) SMN1; SMN2KDM4ENPSR1HSD17B10POLB
SCHEMBL3668355 0.79 GAA (0.58) SMN1; SMN2KDM4ETSHRPOLBCYP1A2
SCHEMBL1454511 0.79 POLB (0.62) SMN1; SMN2TSHRPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
WO-2023274251-A1 POLYCYCLIC COMPOUND FOR INHIBITING RNA HELICASE DHX33, AND APPLICATION OF COMPOUND 深圳开悦生命科技有限公司 2023-01-05 WO disclosed
EP-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed
US-9957259-B2 Selective HDAC1 and HDAC2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2018-05-01 US disclosed
US-20180030040-A1 SELECTIVE HDAC1 AND HDAC2 INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2018-02-01 US disclosed
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9765066-B2 Selective HDAC1 and HDAC2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2017-09-19 US disclosed
US-20140128391-A1 SELECTIVE HDAC1 AND HDAC2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2014-05-08 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 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 (7 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 SMN1; SMN2 1652/4885KDM4E 1323/4885NPSR1 1439/4885
US-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 SMN1; SMN2 4300/4885KDM4E 244/4885NPSR1 4582/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 SMN1; SMN2 4300/4885KDM4E 244/4885NPSR1 4582/4885
US-20180030040-A1 SELECTIVE HDAC1 AND HDAC2 INHIBITORS HDAC1, HDAC2, HDAC11 SMN1; SMN2 488/4885KDM4E 1010/4885NPSR1 4704/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 SMN1; SMN2 4410/4885KDM4E 657/4885NPSR1 3361/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 SMN1; SMN2 778/4885KDM4E 2452/4885NPSR1 4495/4885
US-20140128391-A1 SELECTIVE HDAC1 AND HDAC2 INHIBITORS HDAC1, HDAC2, HDAC11 SMN1; SMN2 488/4885KDM4E 1010/4885NPSR1 4704/4885

“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.