SCHEMBL19970005

SCHEMBL19970005

CCCOCc1nn(CC(F)F)c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ HTR3A P46098 7/20 0.40
▸ CCR1 P32246 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HCAR2 Q8TDS4 2/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30

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 0.81 HTR3A (0.39) L3MBTL1KDM4ENPC1BRD4MITF
SCHEMBL19422008 0.70 L3MBTL1 (0.46) L3MBTL1KDM4ENPC1BRD4MITF
SCHEMBL17176468 0.69 HTR3A (0.58) HTR3A
SCHEMBL19969988 0.68 SLC16A3 (0.40) L3MBTL1KDM4ENPC1BRD4MITF
SCHEMBL17170637 0.68 HTR3A (0.56) L3MBTL1HTR3A
SCHEMBL12329417 0.67 L3MBTL1 (0.45) L3MBTL1MAPT
SCHEMBL19068190 0.63 L3MBTL1 (0.51) L3MBTL1KDM4ENPC1BRD4MITF
SCHEMBL25759525 0.62 L3MBTL1 (0.40) L3MBTL1KDM4ENPC1PDE5ARAB9A
SCHEMBL19465595 0.61 L3MBTL1 (0.42) L3MBTL1KDM4ENPC1HTR3ACCR1
SCHEMBL31725552 0.61 HTR3A (0.46) HTR3AMAPTTP53HTT

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 L3MBTL1 3876/4885KDM4E 3871/4885NPC1 2960/4885

“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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