SCHEMBL8745778

SCHEMBL8745778

Oc1ccc2ncccc2c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
MAPT P10636 4/20 0.58
ERN1 O75460 1/20 0.56
POLB P06746 2/20 0.48
HSP90AA1 P07900 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
IDO1 P14902 2/20 0.47
NPC1 O15118 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.47
BLM P54132 2/20 0.47
IDE P14735 1/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 4/20 0.46
HSP90AB1 P08238 2/20 0.46
HIF1A Q16665 1/20 0.46
ESR1 P03372 1/20 0.45

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
SCHEMBL21075158 0.79 KDM4E (0.62) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL3155534 0.79 KDM4E (0.62) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL30028810 0.79 KDM4E (0.62) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL5547974 0.76 KDM4E (0.58) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL5020270 0.76 KDM4E (0.58) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL3896832 0.76 KDM4E (0.58) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL20463431 0.76 KDM4E (0.58) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL7846678 0.76 HSP90AA1 (0.66) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL14242728 0.76 KDM4E (0.58) KDM4EMAPTERN1POLBHSP90AA1
SCHEMBL3837008 0.76 MAPT (0.58) KDM4EMAPTERN1HSP90AA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US disclosed
CN-117940433-A Quinoline furan derivative and application thereof 瑞石生物医药有限公司 2024-04-26 CN disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
WO-2023025298-A1 QUINOLINOFURAN DERIVATIVE AND USE THEREOF 瑞石生物医药有限公司 2023-03-02 WO disclosed
WO-2023025298-A1 QUINOLINOFURAN DERIVATIVE AND USE THEREOF 瑞石生物医药有限公司 2023-03-02 WO disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 WO disclosed
CN-114835630-A Method for synthesizing spiro [ cyclohexenone-1, 2' -indoline ] skeleton 武汉工程大学 2022-08-02 CN disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 WO disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885MAPT 2507/4885ERN1 1890/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885MAPT 2507/4885ERN1 1890/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 KDM4E 4646/4885MAPT 4728/4885ERN1 2323/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885MAPT 2507/4885ERN1 1890/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KDM4E 3322/4885MAPT 2507/4885ERN1 1890/4885

“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.