SCHEMBL429553

SCHEMBL429553

COCCCOc1cc(Br)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 4/20 0.50
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
TTR P02766 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL5173975 0.91 KDM4E (0.45) KDM4EKMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL15218757 0.84 SMN1; SMN2 (0.47) KDM4EKMT2ATSHRALDH1A1MEN1
SCHEMBL17893778 0.82 L3MBTL1 (0.53) KDM4EKMT2AL3MBTL1RAB9ANPC1
SCHEMBL29521181 0.82 MAPT (0.50) KDM4EKMT2AL3MBTL1RAB9ANPC1
SCHEMBL842107 0.82 MAPT (0.50) KDM4EKMT2AL3MBTL1RAB9ANPC1
SCHEMBL23759950 0.81 CYP3A4 (0.37) KDM4EKMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL89387 0.81 TSHR (0.62) KDM4EKMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL20576387 0.81 KDM4E (0.43) KDM4EKMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL1911365 0.81 KDM4E (0.43) KDM4EKMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL90673 0.81 KDM4E (0.51) KDM4EKMT2AL3MBTL1ALDH1A1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020239656-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2020-12-03 WO disclosed
WO-2020239656-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2020-12-03 WO disclosed
WO-2019100735-A1 FUSED TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-05-31 WO disclosed
US-20120022100-A1 ORGANIC COMPOUNDS MAIBAUM JUERGEN KLAUS (DE) 2012-01-26 US disclosed
US-20090076062-A1 Organic Compounds MAIBAUM JUERGEN KLAUS 2009-03-19 US disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
CN-101171230-A Heterocyclic-substituted alkanamides useful as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2008-04-30 CN disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 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-20120022100-A1 ORGANIC COMPOUNDS AGTR1, AGTR2, REN KDM4E 4349/4885KMT2A 4294/4885TSHR 2323/4885
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 KDM4E 1612/4885KMT2A 2552/4885TSHR 1434/4885
US-20090076062-A1 Organic Compounds AGTR1, AGTR2, REN KDM4E 4349/4885KMT2A 4294/4885TSHR 2323/4885

“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.