Sugi Predict

Sugi Predict / Compounds / SCHEMBL6745130

SCHEMBL6745130

SCHEMBL6745130

O=C(O)C[C@@H]1CC(=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ AKR1B1 P15121 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ AR P10275 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL6745132 1.00 MEN1 (0.52) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL6747478 1.00 MEN1 (0.52) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL6747761 0.84 KMT2A (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6745971 0.84 KMT2A (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL6744327 0.81 MEN1 (0.55) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL68082 0.79 AR (0.51) AKR1B1ALDH1A1ARHTTALOX15
SCHEMBL90825 0.79 AR (0.51) ARMAOBCYP3A4
SCHEMBL9425471 0.79 MAOB (0.44) AKR1B1ARMAOB
SCHEMBL6814103 0.78 KMT2A (0.55) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL14706690 0.77 AR (0.39) ARMAOAMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756403-B2 6-AMINOCHROMAN-2-YL CARBOXYLIC ACIDS AND ESTERS AS PLATELET AGGREGATION INHIBITORS; FROM PHENOL AND KETOGLUTARIC ACID; OR FROM 2-HYDROXYACETOPHENONE AND DIETHYLOXALATE; OR FROM NITROPHENOL AND DIETHYL ESTER OF MALEIC ACID ELI LILLY AND COMPANY 2004-06-29 — — US disclosed
US-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor ELI LILLY AND COMPANY 2004-03-18 — — US disclosed
EP-1292589-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 2003-03-19 — — EP disclosed
WO-2001094335-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR ELI LILLY & COMPANY (US) 2001-12-13 — — 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 (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-20040053992-A1 Methods for producing chiral chromones, chromanes, amino substituted chromanes and intermediates therefor NOTUM, FAR1, CYP51A1 MEN1 3183/4885NPC1 4290/4885RAB9A 2678/4885

“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.