SCHEMBL8249581

SCHEMBL8249581

Oc1cc(N2CCCC2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
GAA P10253 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.65
ACHE P22303 1/20 0.65
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
POLB P06746 1/20 0.61
ALOX12 P18054 1/20 0.61
KMT2A Q03164 1/20 0.51
SMAD3 P84022 1/20 0.51
NCF1 P14598 3/20 0.50
HTR3A P46098 2/20 0.50
ADRB1 P08588 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATM Q13315 2/20 0.49
MAPK1 P28482 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL9493746 0.81 KDM4E (0.66) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL19691053 0.80 SETDB1 (0.53) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL26723750 0.80 KDM4E (1.00) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL5354445 0.80 HTR3A (0.75) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL28403687 0.80 KDM4E (0.67) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL2096494 0.79 ESR1 (0.54) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL2093153 0.79 KDM4E (0.47) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL14975993 0.79 KDM4E (1.00) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL19690976 0.79 SETDB1 (0.52) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL28803647 0.79 HTR3A (0.73) KDM4EGAAL3MBTL1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US disclosed
US-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US disclosed
WO-2007016476-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-02-08 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 (1 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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PRSS1 KDM4E 3578/4885GAA 1717/4885L3MBTL1 1303/4885

“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.