SCHEMBL2990677

SCHEMBL2990677

CN(C)CCCOc1ccnc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
POLB P06746 1/20 0.43
EGFR P00533 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP19A1 P11511 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTR1B P28222 1/20 0.40
NR4A2 P43354 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 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
Trifluoroacetic Acid SCHEMBL2993671 0.91 EGFR (0.42) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL14923429 0.80 HTT (0.57) MAPTMAPK1HTTALDH1A1GAA
SCHEMBL2990471 0.79 FERMT2 (0.65) HTTSMN1; SMN2LMNA
SCHEMBL15649292 0.78 CHRNB2 (0.50) MAPTALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL11765505 0.77 KDM4E (0.57) MAPTALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL4903360 0.76 FERMT2 (0.55) HTTALDH1A1EGFRLMNA
SCHEMBL2682387 0.76 MAPT (0.57) MAPTMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL3442297 0.76 S1PR4 (0.58) MAPTALDH1A1GAASMN1; SMN2CHRNB2
SCHEMBL7074338 0.76 MAPT (0.64) MAPTALDH1A1SMN1; SMN2CHRNB2CHRNA4
SCHEMBL2993675 0.74 MAPT (0.41) MAPTMAPK1HTTALDH1A1GAA

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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US claimed
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 MAPT 3792/4885MAPK1 4517/4885HTT 3354/4885

“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.