SCHEMBL3938240

SCHEMBL3938240

COc1ccc(COc2cc(Br)cc(C(=O)c3ccc(C)nc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SMPD1 P17405 1/20 0.46
VNN1 O95497 5/20 0.46
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLA2G4B P0C869 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL3926237 0.89 RAB9A (0.48) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL3937162 0.88 MAPT (0.47) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL3930180 0.86 LRRK2 (0.52) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL3933611 0.84 MAOB (0.45) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL30655799 0.82 SMN1; SMN2 (0.57) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL310367 0.75 MAOB (0.60) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL16838833 0.73 APP (0.56) MAOBRAB9ANPC1POLBSMN1; SMN2
SCHEMBL15646620 0.72 ABL1 (0.59) VNN1ALDH1A1MEN1KMT2A
SCHEMBL1773529 0.69 HDAC1 (0.58) RAB9ANPC1POLBSMN1; SMN2MAPT
SCHEMBL7240044 0.69 MAOB (0.53) MAOBRAB9ANPC1POLBSMN1; SMN2

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 MAOB 4028/4885RAB9A 2506/4885NPC1 2440/4885
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 MAOB 4043/4885RAB9A 2544/4885NPC1 2367/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MAOB 4181/4885RAB9A 2858/4885NPC1 1074/4885

“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.