SCHEMBL20910130

SCHEMBL20910130

O=C(c1cccc(Br)n1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GRM5 P41594 1/20 0.44
CES1 P23141 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 2/20 0.39
P2RX7 Q99572 1/20 0.38
CTSA P10619 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
TERT O14746 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL29567310 1.00 ALDH1A1 (0.45) ALDH1A1HPGDGRM5CES1KDM4E
Trifluoroacetic Acid SCHEMBL13837126 0.79 ALDH1A1 (0.44) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL4897406 0.79 ALDH1A1 (0.48) ALDH1A1HPGDGRM5CES1KDM4E
SCHEMBL960010 0.77 ALDH1A1 (0.51) ALDH1A1HPGDGRM5CES1KDM4E
SCHEMBL20910131 0.77 GRM5 (0.41) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL17426540 0.76 ALDH1A1 (0.42) ALDH1A1HPGDGRM5CES1KDM4E
SCHEMBL1172090 0.76 ALDH1A1 (0.43) ALDH1A1HPGDGRM5CTSA
SCHEMBL29940784 0.75 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL4989 0.75 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL13932169 0.75 KDM4E (0.50) ALDH1A1HPGDGRM5KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034108-A1 SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2025-01-30 US disclosed
WO-2022206888-A1 CDK2 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2022-10-06 WO disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO 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-20250034108-A1 SODIUM CHANNEL BLOCKERS SCN5A, SCN2B, SCN1B ALDH1A1 2274/4885HPGD 2963/4885GRM5 292/4885

“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.