SCHEMBL13852147

SCHEMBL13852147

CC(C)Oc1ccc([N+](=O)[O-])cc1CN=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.36
HTT P42858 3/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
POLB P06746 1/20 0.34
HTR2A P28223 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL14010977 0.88 LMNA (0.36) CYP19A1LMNASMN1; SMN2TDP1HTT
SCHEMBL14010975 0.88 SMN1; SMN2 (0.36) CYP19A1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL14010976 0.87 ALDH1A1 (0.38) CYP19A1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL14983016 0.85 TDP1 (0.50) CYP19A1LMNASMN1; SMN2TDP1HTT
SCHEMBL2540137 0.78 CYP19A1 (0.53) CYP19A1LMNASMN1; SMN2TDP1PDK1
SCHEMBL29174138 0.78 CYP19A1 (0.53) CYP19A1LMNASMN1; SMN2TDP1PDK1
SCHEMBL27963567 0.78 ALDH1A1 (0.50) CYP19A1LMNASMN1; SMN2TDP1HTT
SCHEMBL28045528 0.78 KDM4E (0.37) LMNASMN1; SMN2TDP1HTTALDH1A1
SCHEMBL12227517 0.78 CYP19A1 (0.53) CYP19A1LMNASMN1; SMN2TDP1PDK1
SCHEMBL20449089 0.77 CYP19A1 (0.50) CYP19A1LMNASMN1; SMN2TDP1PDK1

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-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 CYP19A1 798/4885LMNA 825/4885SMN1; SMN2 3751/4885

“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.