SCHEMBL1630637

SCHEMBL1630637

COc1cc(Br)cc(F)c1C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NQO2 P16083 2/20 0.34
APP P05067 2/20 0.33
EGFR P00533 1/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
KDR P35968 1/20 0.32
PIM1 P11309 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PRNP P04156 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL27733385 0.85 ERN1 (0.36) ERN1ALOX15ALOX12NQO2APP
SCHEMBL18603256 0.81 ERN1 (0.38) ERN1ALOX15ALOX12NQO2PIM1
SCHEMBL18099486 0.79 DGAT1 (0.31)
SCHEMBL16554601 0.76 ERN1 (0.37) ERN1ALOX15ALOX12PIM1ALDH1A1
SCHEMBL935630 0.75 TUBB1 (0.40) ERN1ALOX15ALOX12NQO2APP
SCHEMBL29448365 0.75 TUBB1 (0.40) ERN1ALOX15ALOX12NQO2APP
SCHEMBL12724998 0.74 LMNA (0.31) ALOX15
SCHEMBL24633971 0.74 CA1 (0.33)
SCHEMBL31500460 0.74 ALOX15 (0.47) ERN1ALOX15ALOX12NQO2MAPT
SCHEMBL21593326 0.74 NQO2 (0.41) ERN1ALOX15ALOX12NQO2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
EP-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
WO-2007087488-A9 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2008-08-28 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-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR ERN1 1466/4885ALOX15 3278/4885ALOX12 2782/4885

“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.