Sugi Predict

Sugi Predict / Compounds / SCHEMBL3076815

SCHEMBL3076815

SCHEMBL3076815

C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.60
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PDE2A O00408 1/20 0.53
▸ PTGES O14684 1/20 0.51

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
SCHEMBL3073834 1.00 ALOX5 (0.60) ALOX5LMNAGAAPDE2APTGES
SCHEMBL3073831 1.00 ALOX5 (0.60) ALOX5LMNAGAAPDE2APTGES
SCHEMBL10527020 0.90 NPC1 (0.55) LMNAGAAPDE2A
SCHEMBL10527016 0.90 NPC1 (0.55) LMNAGAAPDE2A
SCHEMBL6088778 0.85 PDE2A (0.50) LMNAGAAPDE2A
SCHEMBL11112390 0.82 ALOX5 (0.50) ALOX5LMNAGAA
SCHEMBL1683876 0.82 ALOX5 (0.57) ALOX5PTGES
SCHEMBL1683873 0.82 ALOX5 (0.57) ALOX5PTGES
SCHEMBL25155836 0.81 — —
SCHEMBL29494522 0.81 — —

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
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 — — US disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 — — US disclosed
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 — — US disclosed
WO-2009094457-A2 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS (US) 2009-07-30 — — WO disclosed
WO-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 — — WO disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 — — US disclosed
EP-0270095-B1 PACKING MATERIAL FOR LIQUID CHROMATOGRAPHY Tosoh Corporation (JP) 1991-11-13 — — EP disclosed
US-4830921-A RESOLUTION OF RACEMIC MIXTURES TOSOH CORPORATION (JP) 1989-05-16 — — US disclosed
EP-0270095-A2 Packing material for liquid chromatography Tosoh Corporation (JP) 1988-06-08 — — EP 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 (3 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-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A ALOX5 1028/4885LMNA 2092/4885GAA 3428/4885
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS UGT2B7, CYP3A7, CYP3A43 ALOX5 2664/4885LMNA 1302/4885GAA 125/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 ALOX5 2574/4885LMNA 1424/4885GAA 1611/4885

“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.