SCHEMBL8963352

SCHEMBL8963352

N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
ALDH1A1 P00352 1/20 0.61
TXNRD1 Q16881 1/20 0.53
TXNRD3 Q86VQ6 1/20 0.53
TXNRD2 Q9NNW7 1/20 0.53
GRM8 O00222 1/20 0.50
GRM4 Q14833 1/20 0.50
KMO O15229 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
APEX1 P27695 1/20 0.46
PTPRA P18433 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL8964242 1.00 MAPT (0.61) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9064991 0.85 PDE7A (0.50) MAPTALDH1A1KMOPTPRA
SCHEMBL858833 0.84 APEX1 (0.53) MAPTALDH1A1APEX1
SCHEMBL10666135 0.82 ALDH1A1 (0.57) MAPTALDH1A1GAACYP1A2
SCHEMBL2003176 0.82 KDM4E (0.52) MAPTALDH1A1GRM8GRM4GAA
SCHEMBL8904293 0.82 KDM4E (0.52) MAPTALDH1A1GRM8GRM4GAA
SCHEMBL8610040 0.82 KDM4E (0.52) MAPTALDH1A1GRM8GRM4GAA
SCHEMBL20547718 0.79 ALDH1A1 (0.55) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL1662813 0.79 ALDH1A1 (0.55) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL6053554 0.79 GRIK1 (0.48) MAPTALDH1A1GRM8GRM4KMO

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
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US claimed
EP-0581907-A4 1994-04-06 EP claimed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP claimed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO claimed
US-20240216346-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same THE WISTAR INST (US) 2024-07-04 US disclosed
US-20240216346-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same THE WISTAR INST (US) 2024-07-04 US disclosed
US-11833137-B2 Substituted chromenones, IRE1 inhibitors, and methods of using same THE WISTAR INSTITUTE (US) 2023-12-05 US disclosed
US-11833137-B2 Substituted chromenones, IRE1 inhibitors, and methods of using same THE WISTAR INSTITUTE (US) 2023-12-05 US disclosed
US-20210008043-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same NATIONAL INSTITUTES OF HEALTH 2021-01-14 US disclosed
US-5578470-A USING CYSTEINE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST (NL) 1996-11-26 US disclosed
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
EP-0581907-A4 1994-04-06 EP disclosed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP disclosed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 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 (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-20210008043-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same XBP1, ERN1, ERN2 MAPT 4823/4885ALDH1A1 2686/4885TXNRD1 307/4885
US-11833137-B2 Substituted chromenones, IRE1 inhibitors, and methods of using same XBP1, ERN1, ERN2 MAPT 4823/4885ALDH1A1 2686/4885TXNRD1 307/4885
US-20240216346-A1 Substituted Chromenones, IRE1 Inhibitors, and Methods of Using Same XBP1, ERN1, ERN2 MAPT 4804/4885ALDH1A1 2667/4885TXNRD1 343/4885

“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.