SCHEMBL972170

SCHEMBL972170

CCCc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(N)=O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.59
BRAF P15056 1/20 0.59
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
ACHE P22303 1/20 0.45
MAOB P27338 1/20 0.45
RAF1 P04049 3/20 0.43
ESR1 P03372 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL2248270 0.88 MAP2K1 (0.77) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL972629 0.80 ALDH1A1 (0.57) MAP2K1KDM4EALDH1A1KMT2AGAA
SCHEMBL972176 0.75 ALDH1A1 (0.78) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL5648113 0.74 TP53 (0.56) MAP2K1BRAFKDM4EKMT2AGAA
SCHEMBL30875857 0.71 BRAF (0.49) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL5649020 0.71 MAP2K1 (0.68) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL5146155 0.70 CYP19A1 (0.65) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL5649087 0.70 MAP2K1 (0.67) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL5648002 0.70 MAP2K1 (0.79) MAP2K1BRAFKDM4EALDH1A1KMT2A
SCHEMBL29288172 0.69 BRAF (0.68) MAP2K1BRAFKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 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-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAP2K1 3808/4885BRAF 1357/4885KDM4E 4508/4885

“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.