SCHEMBL12435378

SCHEMBL12435378

CNCCCC(=O)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 2/20 0.46
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4566692 0.98 ATM (0.63) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL21568856 0.92 L3MBTL1 (0.61) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL13188548 0.88 ATM (0.58) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL20693526 0.86 ATM (0.56) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL12446607 0.86 ATM (0.56) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL18909475 0.83 ATM (0.52) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL13974287 0.83 GNAI3 (0.44) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL14013013 0.80 ATM (0.41) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL13220569 0.79 ATM (0.59) ATML3MBTL1MEN1KMT2ATDP1
SCHEMBL24242445 0.78 ATM (0.63) ATML3MBTL1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B ATM 1963/4885L3MBTL1 2485/4885MEN1 1922/4885

“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.