SCHEMBL25908466

SCHEMBL25908466

Cc1cc(N)ccc1C(C)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
PDE10A Q9Y233 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 3/20 0.43
CYP3A4 P08684 3/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
KIF11 P52732 1/20 0.37
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL30750882 0.84 TSHR (0.56) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL2059016 0.84 TSHR (0.56) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL12024599 0.83 ALDH1A1 (0.50) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL14803471 0.82 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL3006494 0.82 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL29938143 0.81 ALDH1A1 (0.48) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL5351652 0.81 ALDH1A1 (0.48) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL9198448 0.81 ALDH1A1 (0.48) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL2994229 0.81 ALDH1A1 (0.48) ALDH1A1PDE10AL3MBTL1TSHRGAA
SCHEMBL31481037 0.78 KIF11 (0.50) ALDH1A1TSHRGAAPOLBGLA

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-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 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-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 ALDH1A1 1831/4885PDE10A 533/4885L3MBTL1 4858/4885

“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.