SCHEMBL3939593

SCHEMBL3939593

COC(=O)Nc1cc(Br)cc(C(=O)c2ccnc(OC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
NR2E1 Q9Y466 1/20 0.38
EGFR P00533 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
CCR9 P51686 1/20 0.36
CNR1 P21554 1/20 0.36
CTSA P10619 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
SORT1 Q99523 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3931584 0.86 SMARCA2 (0.39) EGFRKDM4E
SCHEMBL4776611 0.86 KCNK3 (0.45) KCNK3KCNK9MEN1KMT2ACCR9
SCHEMBL3925104 0.83 KCNK3 (0.41) KCNK3KCNK9MEN1KMT2ACCR9
SCHEMBL3929384 0.81 HPGDS (0.43) KCNK3KCNK9CNR1GSK3B
SCHEMBL27841468 0.78 KCNK3 (0.52) KCNK3KCNK9CCR9CTSAALDH1A1
SCHEMBL26987981 0.77 RAB9A (0.56) KCNK3KCNK9MEN1KMT2ACCR9
SCHEMBL3927937 0.77 ALDH1A1 (0.49) KMT2AALDH1A1NPC1RAB9ACYP3A4
SCHEMBL3931027 0.76 KCNK3 (0.42) KCNK3KCNK9NR2E1CCR9CNR1
SCHEMBL4793442 0.75 HPGDS (0.45) KCNK3KCNK9CNR1GSK3B
SCHEMBL6378445 0.71 KCNK3 (0.53) KCNK3KCNK9MEN1KMT2ACTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNK3 1783/4885KCNK9 3501/4885NR2E1 42/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 KCNK3 1797/4885KCNK9 3554/4885NR2E1 46/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 KCNK3 1938/4885KCNK9 3675/4885NR2E1 66/4885

“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.