SCHEMBL6169282

SCHEMBL6169282

COc1ccc(Cn2nc([N+](=O)[O-])cc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
POLB P06746 2/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCR2 P41597 1/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
GRN P28799 2/20 0.44
SORT1 Q99523 2/20 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
SCHEMBL13387618 0.90 MAPT (0.47) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL1576768 0.89 ALDH1A1 (0.53) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL6169286 0.83 ALDH1A1 (0.50) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL6407975 0.83 ALDH1A1 (0.43) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL21245001 0.82 ALDH1A1 (0.64) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL26104511 0.81 ALDH1A1 (0.50) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL27878889 0.81 ALDH1A1 (0.50) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL13387757 0.81 MAPT (0.47) ALDH1A1POLBHTTMAPTSMN1; SMN2
SCHEMBL14119926 0.81 MAPT (0.50) ALDH1A1POLBMAPTSMN1; SMN2CCR2
SCHEMBL10150650 0.81 MAPT (0.53) ALDH1A1HTTMAPTSMN1; SMN2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO disclosed
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur TRANSMIT GESELLSCHAFT FUR TECHNOLOGIETRANSFER MBH (DE) 2005-10-27 US disclosed
EP-1503990-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR Transmit Gesellschaft für Technologietransfer mbH (DE) 2005-02-09 EP disclosed
WO-2003095429-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR TransMIT Gesellschaft für Technologietransfer mbH (DE) 2003-11-20 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-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR ALDH1A1 3526/4885POLB 2588/4885HTT 743/4885
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur PRNP, APP, MAPT ALDH1A1 1606/4885POLB 3592/4885HTT 26/4885

“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.