SCHEMBL6029964

SCHEMBL6029964

CNc1ccc2c(ccn2CC(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NTSR1 P30989 5/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC11 Q96DB2 1/20 0.41
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39

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
SCHEMBL6029087 0.88 ATM (0.46) ATMMAOAMAOBMTNR1AMTNR1B
SCHEMBL28758101 0.85 KMT2A (0.55) ATMMAOAMAOBNTSR1KMT2A
SCHEMBL14876202 0.84 ATM (0.60) ATMALOX5EPHX2NTSR1ALDH1A1
SCHEMBL9200019 0.82 MTNR1A (0.60) ATMMTNR1AMTNR1BHDAC8HDAC6
SCHEMBL5449877 0.82 ATM (0.57) ATMMTNR1AMTNR1BNTSR1HDAC8
SCHEMBL19674140 0.82 ATM (0.57) ATMMTNR1AMTNR1BNTSR1HDAC8
SCHEMBL14876504 0.81 NTSR1 (0.57) ATMMTNR1AMTNR1BNTSR1HDAC8
SCHEMBL21810428 0.81 NTSR1 (0.57) ATMMTNR1AMTNR1BNTSR1HDAC8
SCHEMBL5637363 0.81 ATM (0.56) ATMALOX5EPHX2MTNR1AMTNR1B
SCHEMBL14594510 0.80 ATM (0.55) ATMMTNR1AMTNR1BHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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 (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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG ATM 3382/4885ALOX5 1539/4885EPHX2 2671/4885

“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.