SCHEMBL25539403

SCHEMBL25539403

Oc1cc(N2CCCCC2)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.45
MAPT P10636 8/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.42
GPR174 Q9BXC1 1/20 0.41
GAA P10253 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
SCHEMBL6204539 0.90 TSHR (0.49) TSHRMAPK1MAPTALDH1A1HPGD
SCHEMBL8415604 0.83 ALDH1A1 (0.49) TSHRMAPK1MAPTALDH1A1HPGD
SCHEMBL22909290 0.83 MAPK1 (0.50) TSHRMAPK1MAPTALDH1A1HPGD
SCHEMBL24446023 0.81 MAPT (0.48) TSHRMAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL20521441 0.81 ALDH1A1 (0.50) TSHRMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9831479 0.81 ALDH1A1 (0.50) TSHRMAPK1MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL20521636 0.79 ALDH1A1 (0.49) TSHRMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL14283829 0.78 FYN (0.43) MAPK1MAPTALDH1A1PKMNPC1
SCHEMBL23573650 0.77 KDM4E (0.42) TSHRMAPK1MAPTALDH1A1HPGD
SCHEMBL7918440 0.76 MAPT (0.44) TSHRMAPK1MAPTALDH1A1HPGD

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-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers iTeos Belgium SA (BE) 2023-05-25 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-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers ADORA2A, ADORA2B, ADORA3 TSHR 403/4885MAPK1 2720/4885MAPT 4099/4885

“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.