SCHEMBL6311688

SCHEMBL6311688

COc1cc([N+](=O)[O-])cc(OC)c1OCCCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 3/20 0.46
ERN1 O75460 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
PTGS2 P35354 1/20 0.43
PKM P14618 2/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6314484 0.91 PTGS2 (0.48) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL12781604 0.87 MAPT (0.56) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL1326022 0.84 TDP1 (0.49) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL7513156 0.81 HTT (0.50) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL29897293 0.81 MAPT (0.61) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL985801 0.81 MAPT (0.61) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL2086989 0.81 MAPT (0.61) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL28010866 0.80 HTT (0.49) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL7241200 0.79 KCNH2 (0.47) MAPTSMN1; SMN2HPGDLMNAHTT
SCHEMBL6313062 0.79 PTGS2 (0.62) MAPTSMN1; SMN2LMNAHTTERN1

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-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT MAPT 4491/4885SMN1; SMN2 1697/4885HPGD 165/4885

“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.