SCHEMBL25544812

SCHEMBL25544812

C=C(C)c1cnc2cc(C)ccc2c1-c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
BRD4 O60885 2/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
CSF1R P07333 7/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DHODH Q02127 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MAPK1 P28482 1/20 0.34
MAP2K4 P45985 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
GRIN1 Q05586 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
SCHEMBL25544328 0.91 CSF1R (0.39) BRD4BRD2BRD3ALDH1A1HTT
SCHEMBL25544322 0.87 GRM5 (0.41) GRM5ALDH1A1HTTNPSR1HPGD
SCHEMBL23887994 0.78 MEN1 (0.42) MAPT
SCHEMBL30367848 0.78 MEN1 (0.42) MAPT
SCHEMBL23887686 0.78 TLR8 (0.43) BRD4BRD2BRD3ALDH1A1HTT
SCHEMBL25544810 0.73
SCHEMBL25544291 0.73 ALDH1A1 (0.39) ALDH1A1CSF1RRPS6KA3
SCHEMBL23887831 0.72 MEN1 (0.45) MAPTDHODH
SCHEMBL23887809 0.72 ALDH1A1 (0.42) GRM5ALDH1A1HTTHPGDCSF1R
SCHEMBL23884492 0.70 ALDH1A1 (0.37) GRM5ALDH1A1HTTNPSR1HPGD

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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 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-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 GRM5 4601/4885BRD4 638/4885BRD2 1210/4885

“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.