SCHEMBL19969988

SCHEMBL19969988

CCCOCc1nn(CCF)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.40
▸ GLS O94925 1/20 0.39
▸ HTR3A P46098 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL19969987 0.84 HTR3A (0.39) SLC16A3GLSHTR3AL3MBTL1KDM4E
SCHEMBL13168765 0.75 ALOX15 (0.41) SLC16A3GLSL3MBTL1KDM4ENPC1
SCHEMBL22849913 0.70 SLC16A3 (0.62) SLC16A3KDM4ENPC1POLBMAPK1
SCHEMBL8242095 0.70 GLS (0.45) SLC16A3GLSKDM4EPGRRORA
SCHEMBL19969811 0.69 HTR3A (0.39) HTR3AL3MBTL1KDM4ENPC1BRD4
SCHEMBL22849936 0.69 SLC16A3 (0.64) SLC16A3KDM4ENPC1POLBMAPK1
SCHEMBL13131353 0.69 REN (0.47) GLSL3MBTL1KDM4EALOX15TSHR
SCHEMBL1603187 0.69 CYP1A2 (0.61) SLC16A3KDM4ENPC1POLBMAPK1
SCHEMBL17510202 0.69 SLC16A3 (0.59) SLC16A3KDM4ENPC1POLBMAPK1
SCHEMBL929060 0.69 SLC16A3 (0.59) SLC16A3KDM4ENPC1POLBMAPK1

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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 — — 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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A SLC16A3 534/4885GLS 2680/4885HTR3A 1/4885

“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.

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