SCHEMBL6407975

SCHEMBL6407975

COc1ccc(Cn2nc(NC(=O)C(NC(=O)c3cc([N+](=O)[O-])nn3Cc3ccc(OC)cc3)C(C)C)cc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.38
PTGER4 P35408 2/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6341603 0.93 ALDH1A1 (0.43) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL6168133 0.90 ALDH1A1 (0.41) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13387618 0.89 MAPT (0.47) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL6169282 0.83 ALDH1A1 (0.52) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13387757 0.81 MAPT (0.47) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13388217 0.81 ALDH1A1 (0.43) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL6340205 0.81 BRD4 (0.44) ALDH1A1MEN1KMT2ALMNAPTGER4
SCHEMBL13387655 0.80 ALDH1A1 (0.48) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13387585 0.79 LMNA (0.42) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL13387493 0.78 ALDH1A1 (0.48) ALDH1A1POLBHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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.