SCHEMBL3199374

SCHEMBL3199374

O=C(O)C1=Cc2cc(F)ccc2SC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
HSD17B3 P37058 1/20 0.36
KEAP1 Q14145 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
AURKA O14965 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MARK2 Q7KZI7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
BCKDK O14874 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3202351 0.82 KMT2A (0.39) NOTUMHSD17B3HTTMEN1KMT2A
SCHEMBL3186332 0.78 MAOA (0.42) HSD17B3LMNAKDM4EPTGDR2
SCHEMBL214797 0.77 NOTUM (0.40) NOTUMHSD17B3HTTGAALMNA
SCHEMBL3498192 0.77 MCL1 (0.42) GAALMNAALDH1A1MAPT
SCHEMBL3498102 0.68 ALAD (0.41) NOTUMHTTMEN1KMT2ATSHR
SCHEMBL10542398 0.66 HTT (0.31) HTT
SCHEMBL949200 0.66 NOTUM (0.38) NOTUMKEAP1LMNAALDH1A1KDM4E
SCHEMBL27635475 0.65 PTGS2 (0.40)
SCHEMBL14125563 0.64 NOTUM (1.00) NOTUMKMT2AGAALMNAAURKA
SCHEMBL30808596 0.64 ALDH1A1 (0.48) MEN1KMT2ALMNAALDH1A1TSHR

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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US claimed
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP disclosed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 NOTUM 97/4885HSD17B3 790/4885KEAP1 3454/4885

“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.