SCHEMBL6353035

SCHEMBL6353035

COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
AKR1C2 P52895 5/20 0.57
AKR1C1 Q04828 3/20 0.57
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
AKR1C3 P42330 4/20 0.52
AKR1B10 O60218 2/20 0.52
AKR1B1 P15121 2/20 0.52
AKR1C4 P17516 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL6352804 0.85 AKR1C2 (0.58) PKMAKR1C2AKR1C1NPC1MAPT
SCHEMBL6359832 0.83 MAPT (0.57) PKMAKR1C2AKR1C1NPC1RAB9A
SCHEMBL6359133 0.81 AKR1C2 (0.68) PKMAKR1C2AKR1C1MAPTSMN1; SMN2
SCHEMBL6353682 0.79 AKR1C2 (0.71) AKR1C2AKR1C1MAPTCYP3A4MEN1
SCHEMBL30580504 0.79 AKR1C3 (0.63) AKR1C2AKR1C1NPC1RAB9AMAPT
SCHEMBL269614 0.79 AKR1C3 (0.63) AKR1C2AKR1C1NPC1RAB9AMAPT
SCHEMBL6349859 0.78 MAPT (0.76) PKMAKR1C2AKR1C1MAPTSMN1; SMN2
SCHEMBL22720157 0.78 AKR1C3 (0.62) AKR1C2MAPTSMN1; SMN2AKR1C3MEN1
SCHEMBL6359602 0.78 AKR1C2 (0.55) PKMAKR1C2AKR1C1NPC1RAB9A
SCHEMBL7797762 0.77 KDM4E (0.79) PKMMAPTSMN1; SMN2MEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 PKM 4573/4885AKR1C2 3012/4885AKR1C1 2615/4885

“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.