SCHEMBL5487638

SCHEMBL5487638

O=C(O)C(O)Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
GPR35 Q9HC97 2/20 0.46
GRM8 O00222 2/20 0.44
GRM4 Q14833 2/20 0.44
FBP1 P09467 2/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSD P07339 1/20 0.40
PTPRA P18433 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
SCHEMBL28409353 0.81 GRM8 (0.52) CYP1A2TSHRGRM8GRM4
SCHEMBL28409355 0.81 GRM8 (0.52) CYP1A2TSHRGRM8GRM4
SCHEMBL10668707 0.81 ALDH1A1 (0.51) CYP1A2TSHRL3MBTL1MEN1KMT2A
SCHEMBL258742 0.81 ALDH1A1 (0.51) CYP1A2TSHRL3MBTL1MEN1KMT2A
SCHEMBL258592 0.81 ALDH1A1 (0.51) CYP1A2TSHRL3MBTL1MEN1KMT2A
SCHEMBL3948068 0.81 ALDH1A1 (0.54) TSHRGPR35FBP1TDP1L3MBTL1
SCHEMBL1715464 0.80 L3MBTL1 (0.47) CYP1A2TSHRTDP1L3MBTL1
SCHEMBL3535123 0.76 GPR35 (0.54) CYP1A2TSHRGPR35FBP1TDP1
SCHEMBL3722295 0.76 AKR1B1 (0.47) CYP1A2TSHRGPR35FBP1TDP1
SCHEMBL20120119 0.74 SMN1; SMN2 (0.59) TSHRTDP1L3MBTL1MEN1KMT2A

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-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives BAYER HEALTHCARE AG (DE) 2007-09-13 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-20070213363-A1 Tetrahydro-Quinolinylurea Derivatives NMUR1, OPRL1, NQO2 CYP1A2 3234/4885TSHR 2562/4885GPR35 348/4885

“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.