SCHEMBL3937162

SCHEMBL3937162

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMPD1 P17405 1/20 0.46
MAOB P27338 3/20 0.45
VNN1 O95497 5/20 0.45
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLA2G4B P0C869 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL3938240 0.88 MAOB (0.48) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL3926237 0.88 RAB9A (0.48) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL3933611 0.83 MAOB (0.45) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL3930180 0.83 LRRK2 (0.52) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL30655799 0.82 SMN1; SMN2 (0.57) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL1258945 0.74 APP (0.59) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL310367 0.74 MAOB (0.60) RAB9ANPC1POLBSMN1; SMN2SMPD1
SCHEMBL27804846 0.72 STS (0.56) MAPTHTTSMN1; SMN2VNN1MEN1
SCHEMBL25305229 0.71 RAB9A (0.60) MAPTALDH1A1HTTRAB9ANPC1
SCHEMBL11186146 0.68 APP (0.54) HTTRAB9ANPC1SMN1; SMN2MAOB

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 4 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
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 MAPT 4855/4885ALDH1A1 731/4885HTT 3972/4885
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 MAPT 4850/4885ALDH1A1 659/4885HTT 3953/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 MAPT 3741/4885ALDH1A1 489/4885HTT 2987/4885

“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.