SCHEMBL6780957

SCHEMBL6780957

O=C(O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
ERN1 O75460 1/20 0.43
KMT2A Q03164 3/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
NR4A1 P22736 1/20 0.41
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6780953 1.00 GPR35 (0.51) GPR35SMN1; SMN2ERN1KMT2ACXCR1
SCHEMBL11098513 0.86 KMT2A (0.48) SMN1; SMN2KMT2ANR4A1MEN1TDP1
SCHEMBL11098511 0.86 KMT2A (0.48) SMN1; SMN2KMT2ANR4A1MEN1TDP1
SCHEMBL824130 0.77 GPR35 (0.45) GPR35SMN1; SMN2ERN1KMT2ACXCR1
SCHEMBL29302352 0.75 SLC9A1 (0.42) SMN1; SMN2KMT2ATDP1L3MBTL1TSHR
SCHEMBL29302342 0.72 MAPK1 (0.46) SMN1; SMN2KMT2AMEN1TDP1L3MBTL1
SCHEMBL29136832 0.72 MAPK1 (0.46) SMN1; SMN2KMT2AMEN1TDP1L3MBTL1
SCHEMBL824145 0.71 GPR35 (0.56) GPR35SMN1; SMN2ERN1KMT2AMEN1
SCHEMBL1077970 0.71 GPR35 (1.00) GPR35SMN1; SMN2ERN1KMT2ACXCR1
SCHEMBL31053816 0.71 FFAR1 (0.49) KMT2AMEN1FFAR1NPSR1

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-6737431-B2 SUCH AS N-(3-(2-METHYLBENZOXAZOL-7-YL)PROPYL)PROPANAMIDE; CIRCADIAN RHYTHM RELATED DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-05-18 US disclosed
US-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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-20030216456-A1 Benzoxazole derivatives as novel melatonergic agents MTNR1A, MTNR1B, MC1R GPR35 53/4885SMN1; SMN2 2024/4885ERN1 4077/4885

“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.