SCHEMBL25544211

SCHEMBL25544211

CCN(CC)C(=O)c1cc(C)ccc1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.41
RAB9A P51151 1/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
MAPT P10636 2/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL23887897 0.83 NPC1 (0.47) HPGDSMN1; SMN2RAB9AMAPTTSHR
SCHEMBL6648010 0.82 GAA (0.48) RAB9AMAPK1TSHRLMNATP53
SCHEMBL25544226 0.81 CSNK2A1 (0.46) HPGDSMN1; SMN2MAPTRETKDR
SCHEMBL25544228 0.78 HSP90AA1 (0.45) HPGDSMN1; SMN2RAB9AMAPTMAPK1
SCHEMBL23887820 0.78 NPC1 (0.52) SMN1; SMN2RAB9AMAPTLMNAALDH1A1
SCHEMBL30367860 0.78 NPC1 (0.52) SMN1; SMN2RAB9AMAPTLMNAALDH1A1
SCHEMBL6643903 0.77 TSHR (0.52) TDP1HPGDSMN1; SMN2HCRTR1HCRTR2
SCHEMBL471668 0.76 HPGD (0.51) TDP1HPGDSMN1; SMN2POLBHCRTR1
SCHEMBL12677875 0.76 HPGD (0.51) TDP1HPGDSMN1; SMN2POLBRAB9A
SCHEMBL13758679 0.74 MAPT (0.46) MAPTRETKDRKMT2A

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 TDP1 786/4885HPGD 117/4885SMN1; SMN2 3018/4885

“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.