SCHEMBL30006596

SCHEMBL30006596

[O-][n+]1cc(F)cc(F)c1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.37
PTGS1 P23219 2/20 0.37
MAPK14 Q16539 2/20 0.36
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAOB P27338 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RPS6KA3 P51812 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL13844293 0.66
SCHEMBL18101838 0.62 MAPK14 (0.37) PTGS2MAPK14TSHRKMT2AMEN1
SCHEMBL13094489 0.61
SCHEMBL26821699 0.60 BCL2L1 (0.55) MAOB
SCHEMBL10300262 0.60 BCL2L1 (0.55) MAOB
SCHEMBL10337645 0.60 BCL2L1 (0.55) MAOB
SCHEMBL197346 0.60 BCL2L1 (0.55) MAOB
SCHEMBL12562793 0.60 BCL2L1 (0.55) MAOB
SCHEMBL24766983 0.60 CA3 (0.44) PTGS2PTGS1ALDH1A1MAOBRPS6KA3
SCHEMBL2947322 0.60 BCL2L1 (0.39) PTGS2PTGS1TSHRKMT2AALDH1A1

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 3 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
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP 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

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 PTGS2 2304/4885PTGS1 1423/4885MAPK14 2142/4885

“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.