SCHEMBL4218397

SCHEMBL4218397

NC(=O)c1cc2cc(F)cc(/C=C/[C]=O)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
MAP2K1 Q02750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
METAP2 P50579 1/20 0.30
FLT3 P36888 3/20 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
SCHEMBL4225384 0.83 MEN1 (0.36) HRH4PDPK1ALDH1A1HPGDAPEX1
SCHEMBL4220787 0.83 MEN1 (0.36) HRH4PDPK1ALDH1A1HPGDAPEX1
SCHEMBL4787473 0.76 HRH4 (0.54) HRH4MAP2K1KDM4EPDPK1ALDH1A1
SCHEMBL4229415 0.73 ALDH1A1 (0.35) KDM4EALDH1A1LMNA
SCHEMBL16571364 0.73 MAP2K1 (0.50) HRH4MAP2K1KDM4EPDPK1ALDH1A1
SCHEMBL29063260 0.73 HRH4 (0.40) HRH4MAP2K1KDM4EPDPK1ALDH1A1
SCHEMBL16571303 0.69 GRM2 (0.42) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL25532019 0.66 EIF4A3 (0.37) HRH4MAP2K1ALDH1A1LMNA
SCHEMBL16571384 0.66 GPER1 (0.38) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL3725570 0.65 CES2 (0.41)

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-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
EP-1812388-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics (US) 2007-08-01 EP disclosed
WO-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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 (2 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 HRH4 1199/4885MAP2K1 3492/4885KDM4E 3447/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 HRH4 1199/4885MAP2K1 3492/4885KDM4E 3447/4885

“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.