SCHEMBL5862083

SCHEMBL5862083

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)NCCc3ccccc3)c2-c2cccnc2)=C(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.43
P2RX7 Q99572 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.41
PTGFR P43088 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 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
SCHEMBL5859884 0.83 USP2 (0.43) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL5860204 0.77 CYP2C9 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1TSHR
SCHEMBL5862077 0.76 HTT (0.38) KMT2AALDH1A1HTT
SCHEMBL5859043 0.73 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPK1KDM4E
SCHEMBL5731622 0.71 KDM4E (0.51) KMT2AMEN1KDM4EMAPTTHRB
SCHEMBL6660693 0.70 CYP2C9 (0.36) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL5859170 0.69 TBXAS1 (0.45) ALDH1A1KDM4EHTTLMNA
SCHEMBL5859335 0.69 TBXAS1 (0.45) NPC1ALDH1A1MAPK1KDM4EHTT
SCHEMBL16067092 0.69 TBXAS1 (0.68) ALDH1A1MAPK1IDO1GAAMAPT
SCHEMBL1786814 0.69 TAAR1 (0.56) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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 (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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB KCNK3 1241/4885KCNH2 1873/4885KMT2A 1845/4885

“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.