SCHEMBL23958650

SCHEMBL23958650

C=C(OCC)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 2/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
PKM P14618 1/20 0.39
MAPK14 Q16539 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 2/20 0.36
CFTR P13569 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL25689048 0.85 CFTR (0.37) ALDH1A1L3MBTL1KDM4EHPGDNPC1
SCHEMBL23958693 0.81 CFTR (0.40) ALDH1A1L3MBTL1GABRA2GABRB2MAPK14
SCHEMBL25686910 0.80 CFTR (0.35) ALDH1A1L3MBTL1MAPK14LMNACFTR
SCHEMBL26727261 0.79 CFTR (0.34) MAPK14CFTR
SCHEMBL23958619 0.77 CFTR (0.41) ALDH1A1L3MBTL1KDM4EHPGDNPC1
SCHEMBL30007475 0.77 CFTR (0.41) ALDH1A1L3MBTL1KDM4EHPGDNPC1
SCHEMBL23930265 0.73 ADORA2A (0.40) ALDH1A1L3MBTL1PKMMAPK14CFTR
SCHEMBL28909138 0.73 CFTR (0.34) ALDH1A1L3MBTL1LMNACFTR
SCHEMBL30692527 0.73 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPK14LMNACFTR
SCHEMBL26926417 0.73 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPK14LMNACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237732-A1 RSV INHIBITING TRIAZOLO BEARING DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-12-14 WO disclosed
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2023052593-A1 RSV INHIBITING SPIRO BEARING DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-04-06 WO disclosed
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN 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 ALDH1A1 1630/4885L3MBTL1 4845/4885PTGS2 2304/4885

“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.