SCHEMBL13229879

SCHEMBL13229879

COc1cc(OCCCBr)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 6/20 0.49
ALDH1A1 P00352 8/20 0.46
S1PR4 O95977 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.40

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
SCHEMBL2794810 0.93 MAPT (0.49) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL6814794 0.87 MAPT (0.52) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL13229899 0.85 S1PR4 (0.43) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL6815549 0.84 MAPT (0.49) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL6819520 0.82 LMNA (0.49) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL11661312 0.82 ALDH1A1 (0.48) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL26654772 0.81 MAPT (0.51) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL30665933 0.81 MAPT (0.51) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL14965402 0.80 MAPT (0.48) MAPTHPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL6814271 0.79 MAPT (0.47) MAPTHPGDSMN1; SMN2RAB9ACYP1A2

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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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 (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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 MAPT 4424/4885HPGD 1778/4885SMN1; SMN2 3972/4885

“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.