SCHEMBL1990227

SCHEMBL1990227

CCOC(=O)Cc1cn(CC2CCNCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
CREBBP Q92793 1/20 0.45
ICMT O60725 5/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SLC6A4 P31645 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL1989207 0.87 L3MBTL1 (0.50) L3MBTL1CREBBPICMTPOLBALDH1A1
SCHEMBL1991648 0.81 L3MBTL1 (0.62) L3MBTL1CREBBPPKMKDM4ECNR1
SCHEMBL18171795 0.79 ALDH1A1 (0.66) L3MBTL1CREBBPPOLBPKMALDH1A1
Hydrochloric Acid SCHEMBL1992026 0.77 RECQL (0.52) L3MBTL1POLBALDH1A1SLC6A4CYP1A2
SCHEMBL8416334 0.76 CDC25A (0.65) L3MBTL1CREBBPICMTALDH1A1KDM4E
SCHEMBL18294838 0.75 HTR6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28365671 0.75 CDC25A (0.56) ICMTHDAC3HDAC4HDAC1HDAC7
SCHEMBL28840780 0.75 CREBBP (0.62) L3MBTL1CREBBPICMTALDH1A1MAPT
Hydrochloric Acid SCHEMBL16880365 0.74 HTR6 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13949764 0.74 CNR1 (0.48) ICMTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO L3MBTL1 3898/4885CREBBP 825/4885ICMT 1684/4885

“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.