SCHEMBL15314289

SCHEMBL15314289

Cc1nnc2n1CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
HPGD P15428 5/20 0.58
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.51
HSD11B1 P28845 6/20 0.47
HSD11B2 P80365 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B1 P14061 1/20 0.46

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
SCHEMBL11918822 1.00 POLB (1.00) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL12408155 0.98 POLB (0.96) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL1706504 0.91
SCHEMBL14204046 0.74 POLB (0.59) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL25099331 0.74 POLB (0.58) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL14030255 0.74 POLB (0.58) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL22484889 0.74 POLB (0.58) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL22485313 0.74 POLB (0.58) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL11914610 0.74 POLB (0.58) POLBHPGDALDH1A1HTTHSD11B1
SCHEMBL14048244 0.74 POLB (0.58) POLBHPGDKDM4EMAPTL3MBTL1

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
EP-3572412-B1 PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-03 EP disclosed
US-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-01 US disclosed
US-8557841-B2 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-15 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-20170152262-A1 VINYLOGOUS THIOESTER COMPOUNDS AND METHODS OF USE ACOT7, LYPLA2, PPT1 POLB 2398/4885HPGD 1461/4885ALDH1A1 1113/4885

“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.