SCHEMBL22689342

SCHEMBL22689342

COC(=O)c1cc(C2CC2)c(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
VCAM1 P19320 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 3/20 0.42
OPRK1 P41145 1/20 0.42
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
WDR5 P61964 1/20 0.39

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
SCHEMBL29190026 0.85 HPGD (0.48) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL31430607 0.85 HPGD (0.48) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL19071923 0.84 VCAM1 (0.55) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL24901672 0.81 HPGD (0.42) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL11965650 0.81 HPGD (0.58) HPGDVCAM1MAPTLMNAALDH1A1
SCHEMBL27212775 0.80 VCAM1 (0.51) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL30158975 0.80 VCAM1 (0.51) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL22696475 0.80 HPGD (0.44) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL28679664 0.80 HPGD (0.44) HPGDVCAM1MAPTKDM4ELMNA
SCHEMBL5470372 0.79 HPGD (0.54) HPGDVCAM1MAPTKDM4ELMNA

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
US-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2024-05-16 US disclosed
EP-3972964-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2022-03-30 EP disclosed
CN-113874380-A Other heteroaromatic compounds with anti-RSV activity 爱尔兰詹森科学公司 2021-12-31 CN disclosed
WO-2020234333-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-11-26 WO disclosed
WO-2020234333-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-11-26 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-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV MAVS, ZC3HAV1, RNASEH1 HPGD 2037/4885VCAM1 1218/4885MAPT 3791/4885

“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.