SCHEMBL4189866

SCHEMBL4189866

CCOCn1c(Br)nc([N+](=O)[O-])c1Br

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
HTT P42858 6/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
JAK2 O60674 2/20 0.39
HKDC1 Q2TB90 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.33
S1PR4 O95977 1/20 0.30

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
SCHEMBL5188985 0.86 ALDH1A1 (0.40) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL58073 0.84 MAPT (0.51) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL5179805 0.79 POLB (0.32) MAPTHTTPOLB
SCHEMBL5189175 0.72 MAPT (0.41) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL29118210 0.71 CSNK2A2 (0.42) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL3192831 0.70 MAPT (0.61) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL31144987 0.69 MAPT (0.41) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL27680372 0.67 MAPT (0.38) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL861476 0.64 MAPT (0.57) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL5179878 0.62 MAPT (0.33) MAPTHTTPOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082575-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-03-26 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-20090082575-A1 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE COX4I1, MT-ND4, MT-ND4L MAPT 4528/4885HTT 2742/4885POLB 572/4885

“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.