SCHEMBL22904342

SCHEMBL22904342

Nc1cccc2c1CC(F)(F)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.40
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC18A3 Q16572 2/20 0.32
PIK3CA P42336 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL12804798 0.75 BCL2L1 (0.45) ALDH1A1HPGDMEN1LMNAMAPT
SCHEMBL5369409 0.75 TRPA1 (0.34)
SCHEMBL31284979 0.75 TRPA1 (0.34)
SCHEMBL22904316 0.73 PNMT (0.34)
SCHEMBL5917138 0.72 CD44 (0.38) CD44ALDH1A1HPGDKDM4EMEN1
SCHEMBL14455044 0.72 GABRA1 (0.39) HPGDLMNACYP3A4TSHR
SCHEMBL14293599 0.71 TSHR (0.38) TSHR
SCHEMBL24446032 0.71 GABRA1 (0.38) KDM4ELMNACYP3A4
SCHEMBL22904340 0.71 MAPT (0.31) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL23600438 0.71 CA2 (0.38) ALDH1A1TSHRTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021008338-A1 AURORA KINASE INHIBITOR AND USE THEREOF 微境生物医药科技(上海)有限公司 2021-01-21 WO disclosed
US-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. 2016-11-17 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-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 CD44 2730/4885ALDH1A1 329/4885HPGD 161/4885

“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.