SCHEMBL3926257

SCHEMBL3926257

CN(C)C(=O)Nc1cc(Br)cc(C(=O)c2cccnc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
GRM5 P41594 2/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 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
SCHEMBL3929360 0.86 MAPT (0.51) RAB9ANPC1TDP1GRM5MAPT
SCHEMBL3927937 0.84 ALDH1A1 (0.49) RAB9ANPC1TDP1GRM5MAPT
SCHEMBL3932777 0.84 TSHR (0.57) RAB9ANPC1TDP1MAPTALDH1A1
SCHEMBL3937219 0.80 HTT (0.57) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL3930503 0.79 NAMPT (0.49) RAB9ANPC1TDP1MAPTALDH1A1
SCHEMBL3924767 0.75 HPGDS (0.50) TDP1
SCHEMBL3925363 0.74 HTT (0.51) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL9599053 0.74 RAB9A (0.59) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL3924710 0.73 ALOX15 (0.50) RAB9ANPC1TDP1MAPTALDH1A1
SCHEMBL17923075 0.73 ALOX15 (0.50) MAPTALDH1A1NPSR1HTTGAA

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 RAB9A 2506/4885NPC1 2440/4885TDP1 4298/4885
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 RAB9A 2544/4885NPC1 2367/4885TDP1 4312/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 RAB9A 2858/4885NPC1 1074/4885TDP1 2851/4885

“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.