SCHEMBL3930503

SCHEMBL3930503

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL3937931 0.84 LMNA (0.49) ALDH1A1SMN1; SMN2PTGS1PTGS2POLB
SCHEMBL3929360 0.82 MAPT (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL3937219 0.81 HTT (0.57) ALDH1A1NPC1RAB9APTGS1PTGS2
SCHEMBL3932777 0.80 TSHR (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL3927937 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL3926257 0.79 RAB9A (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL3937437 0.77 CYP3A4 (0.38) ALDH1A1SMN1; SMN2POLBALOX15CYP1A2
SCHEMBL3939566 0.76 PTGS1 (0.54) NAMPTALDH1A1PTGS1PTGS2CYP1A2
SCHEMBL3925363 0.76 HTT (0.51) ALDH1A1NPC1RAB9APTGS1PTGS2
SCHEMBL3928580 0.75 PIP4K2A (0.59) NAMPT

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 NAMPT 3423/4885ALDH1A1 731/4885NPC1 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 NAMPT 3328/4885ALDH1A1 659/4885NPC1 2367/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 NAMPT 1529/4885ALDH1A1 489/4885NPC1 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.