SCHEMBL4784574

SCHEMBL4784574

CN1CCN(c2n[nH]c3cc([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
HRH4 Q9H3N8 4/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 4/20 0.46
APP P05067 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
EIF2AK2 P19525 1/20 0.43
AURKA O14965 1/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL30833799 1.00 SIRT6 (0.50) SIRT6HRH4HRH3LMNAAPP
SCHEMBL4781802 0.90 MAPT (0.50) SIRT6HRH4HRH3LMNAAPP
SCHEMBL29190644 0.89 MEN1 (0.41) SIRT6HRH4HRH3LMNAAPP
SCHEMBL30833752 0.89 MEN1 (0.41) SIRT6HRH4HRH3LMNAAPP
SCHEMBL4785656 0.85 LMNA (0.54) SIRT6HRH4HRH3LMNAAPP
SCHEMBL29190669 0.85 MAPK1 (0.52) LMNAACHEALDH1A1MAPK1GAA
SCHEMBL30833685 0.85 MAPK1 (0.52) LMNAACHEALDH1A1MAPK1GAA
SCHEMBL30833670 0.80 HTT (0.54) LMNAALDH1A1GAAHTTCYP3A4
SCHEMBL29190572 0.78 MAPK1 (0.43) LMNAMAPK1CYP1A2CYP3A4MAPT
SCHEMBL30833644 0.78 MAPK1 (0.43) LMNAMAPK1CYP1A2CYP3A4MAPT

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
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
CN-113896744-A Selective EGFR inhibitor 成都先导药物开发股份有限公司 2022-01-07 CN disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R SIRT6 3467/4885HRH4 232/4885HRH3 206/4885

“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.