SCHEMBL7092098

SCHEMBL7092098

COC(Cc1ccc([N+](=O)[O-])cc1)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.52
IDO1 P14902 2/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.48
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1C3 P42330 1/20 0.46
CYP2C19 P33261 3/20 0.46
POLB P06746 1/20 0.46
KCNJ1 P48048 3/20 0.46
KCNH2 Q12809 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL7569634 0.89 TSHR (0.70) LOXL2IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL16389748 0.84 IDO1 (0.47) LOXL2IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL7049971 0.84 LMNA (0.49) LOXL2IDO1ALDH1A1LMNATSHR
SCHEMBL5715396 0.80 LOXL2 (0.55) LOXL2IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL1861986 0.80 MMP1 (0.52) LOXL2IDO1LMNASMN1; SMN2TSHR
SCHEMBL9472136 0.80 CHRM2 (0.54) LOXL2IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL3440739 0.79 PYCR1 (0.56) LOXL2IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL2234342 0.78 PTPRB (0.52) ALDH1A1LMNASMN1; SMN2TSHRPOLB
SCHEMBL8194984 0.78 AKR1C3 (0.47) LOXL2IDO1ALDH1A1LMNASMN1; SMN2
SCHEMBL31443250 0.78 SLC6A4 (0.55) LOXL2IDO1LMNASMN1; SMN2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO 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 (2 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 LOXL2 1465/4885IDO1 748/4885ALDH1A1 725/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 LOXL2 1623/4885IDO1 637/4885ALDH1A1 524/4885

“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.