SCHEMBL416630

SCHEMBL416630

O=C(Nc1nccs1)c1ccccc1OC(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP1A2 P05177 1/20 0.61
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 1/20 0.60
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 1/20 0.53
METAP2 P50579 1/20 0.53
METAP1 P53582 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HSD17B10 Q99714 1/20 0.53
EGFR P00533 1/20 0.53
FGFR1 P11362 1/20 0.53
KDR P35968 1/20 0.53

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
SCHEMBL419203 0.83 MAPK1 (0.76) ALOX15MAPK1CYP1A2NPC1RAB9A
Bromide SCHEMBL27908055 0.82 MAPK1 (0.74) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL714175 0.81 MAPK1 (0.73) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL16363830 0.81 MAPK1 (1.00) ALOX15MAPK1CYP1A2NPC1RAB9A
Bromide SCHEMBL27908387 0.80 CYP1A2 (0.66) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL18026621 0.80 ALOX15 (0.76) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL4547981 0.80 ALOX15 (0.48) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL12673323 0.80 ALOX15 (0.48) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL12753549 0.80 ALOX15 (0.48) ALOX15MAPK1CYP1A2NPC1RAB9A
SCHEMBL4548001 0.80 ALOX15 (0.48) ALOX15MAPK1CYP1A2NPC1RAB9A

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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ALOX15 2365/4885MAPK1 1515/4885CYP1A2 2166/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB ALOX15 2365/4885MAPK1 1515/4885CYP1A2 2166/4885

“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.