SCHEMBL3930180

SCHEMBL3930180

COc1ccc(COc2cc(Br)cc(C(=O)c3cccnc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.52
SMPD1 P17405 2/20 0.51
KMT2A Q03164 4/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL30655799 0.86 SMN1; SMN2 (0.57) SMPD1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3938240 0.86 MAOB (0.48) LRRK2SMPD1KMT2ARAB9ANPC1
SCHEMBL3926237 0.83 RAB9A (0.48) SMPD1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3937162 0.83 MAPT (0.47) SMPD1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3933611 0.79 MAOB (0.45) SMPD1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3938617 0.78 MAOB (0.52) LRRK2SMPD1RAB9ANPC1MAOB
SCHEMBL15379656 0.77 TDP1 (0.66) KMT2AKDM4ECYP1A2ALDH1A1TSHR
SCHEMBL3928146 0.76 LRRK2 (0.56) LRRK2KMT2ARAB9ANPC1KDM4E
SCHEMBL9520820 0.75 KMT2A (0.69) KMT2ARAB9ACYP1A2ALDH1A1POLB
SCHEMBL29691989 0.75 KMT2A (0.69) KMT2ARAB9ACYP1A2ALDH1A1POLB

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 LRRK2 2439/4885SMPD1 4616/4885KMT2A 2531/4885
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 LRRK2 2481/4885SMPD1 4584/4885KMT2A 2491/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 LRRK2 1049/4885SMPD1 4219/4885KMT2A 3984/4885

“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.