SCHEMBL6070445

SCHEMBL6070445

COC(=O)c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ VCAM1 P19320 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ PLIN1 O60240 1/20 0.39

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
SCHEMBL4292385 0.87 SIRT6 (0.46) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL7560618 0.80 TSHR (0.46) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL7013577 0.78 LMNA (0.44) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL6195695 0.77 PDGFRB (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL130031 0.77 TSHR (0.44) ALDH1A1TDP1KMT2AMAPTHSD17B10
SCHEMBL28683195 0.77 TSHR (0.34) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL6070132 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL195311 0.76 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2KMT2AMAPT
Hydrochloric Acid SCHEMBL30013910 0.75 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2KMT2AMAPT
Fluoride SCHEMBL27635664 0.75 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 — — US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-7122565-B2 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT LLC (US) 2006-10-17 — — US disclosed
EP-1326853-B1 THIADIAZOLES AND OXADIAZOLES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2005-09-07 — — EP disclosed
CN-1639141-A Novel thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER LAMBERT CO (US) 2005-07-13 — — CN disclosed
US-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY 2003-03-06 — — US disclosed
WO-2002005616-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 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-20030045557-A1 Thiadiazoles and oxadiazoles and their use as phosphodiesterase-7 inhibitors PDE3A, PDE3B, PDE7A SIRT6 1805/4885PDGFRB 156/4885FGFR1 2296/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX SIRT6 1066/4885PDGFRB 3268/4885FGFR1 2694/4885

“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.

Send feedback