SCHEMBL6314484

SCHEMBL6314484

COc1cc([N+](=O)[O-])cc(OCCCl)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 3/20 0.44
ERN1 O75460 1/20 0.42
KRAS P01116 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 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
SCHEMBL6311688 0.91 MAPT (0.51) PTGS2MAPTHPGDSMN1; SMN2LMNA
SCHEMBL6313062 0.83 PTGS2 (0.62) PTGS2MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL2086989 0.82 MAPT (0.61) PTGS2MAPTHPGDSMN1; SMN2LMNA
SCHEMBL985801 0.82 MAPT (0.61) PTGS2MAPTHPGDSMN1; SMN2LMNA
SCHEMBL29897293 0.82 MAPT (0.61) PTGS2MAPTHPGDSMN1; SMN2LMNA
SCHEMBL12781604 0.82 MAPT (0.56) MAPTHPGDSMN1; SMN2LMNANPC1
SCHEMBL4003474 0.78 PTGS2 (0.47) PTGS2MAPTSMN1; SMN2LMNARAB9A
SCHEMBL6319723 0.77 ALDH1A1 (0.50) PTGS2SMN1; SMN2ALDH1A1
SCHEMBL13215164 0.76 TNF (0.51) PTGS2MAPTHTTKRASALDH1A1
SCHEMBL4038925 0.76 MAPT (0.65) PTGS2MAPTHPGDSMN1; SMN2LMNA

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 PTGS2 768/4885MAPT 4491/4885HPGD 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.