SCHEMBL18504876

SCHEMBL18504876

Cc1cc(-c2ccc([N+](=O)[O-])cc2C)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 3/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
NPBWR1 P48145 2/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
RAB9A P51151 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL16685972 0.85 PDE3B (0.46) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL1492729 0.83 KMT2A (0.50) ALDH1A1TDP1MAPTMEN1HTT
SCHEMBL2186242 0.82 VCAM1 (0.48) ALDH1A1CYP3A4MAPTMEN1HTT
SCHEMBL30676081 0.82 VCAM1 (0.48) ALDH1A1CYP3A4MAPTMEN1HTT
SCHEMBL2627195 0.81 DYRK1A (0.53) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL14154089 0.79 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL2144876 0.78 TSHR (0.50) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL9820237 0.78 PDE4D (0.52) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL30683694 0.78 ALDH1A1 (0.72) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL30676034 0.78 KDM4E (0.58) ALDH1A1MEN1KMT2APDE7APDE7B

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-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP ALDH1A1 3261/4885TDP1 29/4885TSHR 4763/4885

“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.