SCHEMBL2881438

SCHEMBL2881438

CSc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 4/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL29145557 0.78 MAPT (0.32) TDP1SMN1; SMN2PDE7AHSD17B10TSHR
SCHEMBL58127 0.76 HSD17B10 (0.54) TDP1SMN1; SMN2HSD17B10ALDH1A1TSHR
SCHEMBL4845838 0.76 PDE7A (0.55) TDP1SMN1; SMN2PDE7AKMT2AMEN1
SCHEMBL57882 0.76 TSHR (0.40) TDP1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL247495 0.75 PARP1 (0.41) TDP1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL3384869 0.74 PDE7A (0.58) TDP1SMN1; SMN2PDE7AKMT2AMEN1
SCHEMBL6800906 0.74 TDP1 (0.38) TDP1KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL2889573 0.74 PDE7A (0.54) TDP1SMN1; SMN2PDE7AKMT2AMEN1
SCHEMBL1028967 0.72 TDP1 (0.50) TDP1SMN1; SMN2PDE7AKMT2AMEN1
SCHEMBL456636 0.72 PDK1 (0.41) TDP1SMN1; SMN2KMT2AMEN1HSD17B10

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 14 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-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 — — US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 — — US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 — — EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 — — EP disclosed
WO-2005023253-A1 USE OF PDE4 INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS ALTANA PHARMA AG (DE) 2005-03-17 — — WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 — — US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 — — EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 — — WO disclosed
US-4058529-A Polycyclic amino derivatives of pyrrolidone and piperidone CIBA-GEIGY CORPORATION (US) 1977-11-15 — — 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 (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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 TDP1 337/4885SMN1; SMN2 3417/4885PDE7A 12/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX TDP1 2034/4885SMN1; SMN2 4143/4885PDE7A 1860/4885

“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