SCHEMBL6094625

SCHEMBL6094625

CC1=C(C)C(=O)C(Cc2ccc(O)c(C(=O)Nc3ccncc3)c2)=C(C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.52
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TYK2 P29597 3/20 0.43
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
KLKB1 P03952 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
PRKCI P41743 1/20 0.41
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6095585 0.88 KCNMA1 (0.47) KCNMA1RAB9ANPC1TYK2HTT
SCHEMBL6096864 0.86 TMPRSS4 (0.55) RAB9ANPC1HTTSMN1; SMN2LMNA
SCHEMBL27578292 0.83 KCNMA1 (0.51) KCNMA1RAB9ANPC1TYK2HTT
SCHEMBL6096091 0.80 SMN1; SMN2 (0.47) KCNMA1RAB9ANPC1TYK2HTT
SCHEMBL6095856 0.79 POLB (0.47) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL6094593 0.77 KCNMA1 (0.52) KCNMA1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6096009 0.77 SORT1 (0.43) SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL6093802 0.76 NPC1 (0.52) RAB9ANPC1MAPTLMNAKLKB1
SCHEMBL6097156 0.76 PARP1 (0.42) KCNMA1TYK2JAK2JAK1
SCHEMBL6097408 0.75 P2RX1 (0.51) KCNMA1MAPTKLKB1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP 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-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB KCNMA1 3099/4885RAB9A 3710/4885NPC1 1501/4885

“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.