SCHEMBL18948435

SCHEMBL18948435

CCCCCCC(CCCCC)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FBP1 P09467 1/20 0.33
NR1I2 O75469 1/20 0.33
HSPA5 P11021 1/20 0.32
CTSK P43235 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL18430567 1.00 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1NR1I2HSPA5
SCHEMBL21217035 1.00 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1NR1I2HSPA5
SCHEMBL19334597 1.00 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1NR1I2HSPA5
SCHEMBL29325457 1.00 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1NR1I2HSPA5
SCHEMBL20098093 0.98 PLA2G4A (0.35) PLA2G4AL3MBTL1FBP1NR1I2HSPA5
SCHEMBL28578071 0.95 L3MBTL1 (0.34) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL29865290 0.93 NR1I2 (0.38) PLA2G4AL3MBTL1FBP1NR1I2
SCHEMBL12193817 0.85 FBP1 (0.37) FBP1HSPA5SLC6A2SLC6A4
SCHEMBL1670553 0.84 CA2 (0.39) PLA2G4AL3MBTL1
SCHEMBL7763980 0.83 PLA2G4A (0.34) PLA2G4AL3MBTL1FBP1HSPA5CTSK

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
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-06-06 US disclosed
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-05-11 US disclosed
US-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 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 (3 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-20210186979-A1 SMALL MOLECULE INHIBITORS OF CDK12/CDK13 CDK12, CDK1, CDK13 PLA2G4A 3005/4885L3MBTL1 3053/4885FBP1 3084/4885
US-11666578-B2 Small molecule inhibitors of CDK12/CDK13 CDK12, CDK1, CDK13 PLA2G4A 3005/4885L3MBTL1 3053/4885FBP1 3084/4885
US-20230146515-A1 MITOCHONDRIA-TARGETING PEPTIDES HSPE1, TFAM, TNNI3 PLA2G4A 962/4885L3MBTL1 1122/4885FBP1 3227/4885

“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.