SCHEMBL23958754

SCHEMBL23958754

C=C(c1cc(C(C)(C)O)cc(-c2ccc(F)cc2)n1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL31412419 0.86 ADORA3 (0.39) KDM4EALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL30211257 0.76 S1PR2 (0.43) KDM4EALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL28909202 0.75 SCN9A (0.34) KDM4EALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL23958693 0.75 CFTR (0.40) ALDH1A1ADORA2AL3MBTL1SCN9ACFTR
SCHEMBL23958758 0.74 ALDH1A1 (0.46) KDM4EALDH1A1SMN1; SMN2RAB9AADORA3
SCHEMBL16533515 0.74 CNR2 (0.39) ABL1
SCHEMBL23958839 0.73 CFTR (0.39) SMN1; SMN2CYP11B1CYP11B2ADORA3ADORA2A
SCHEMBL31412462 0.72 SCN9A (0.43) KDM4EALDH1A1ADORA3ADORA2AL3MBTL1
SCHEMBL31412381 0.70 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL23958752 0.70 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MITFLMNA

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
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE KDM4E 3733/4885ALDH1A1 1630/4885SMN1; SMN2 773/4885

“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.