SCHEMBL6201951

SCHEMBL6201951

CCCc1cc(N2CCC2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.47
ACHE P22303 3/20 0.47
NPC1 O15118 1/20 0.46
APOBEC3A P31941 1/20 0.46
RAB9A P51151 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 1/20 0.44
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPBWR1 P48145 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.42
EIF4A1 P60842 2/20 0.42

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
SCHEMBL6603576 0.82 NCF1 (0.53) ACHENPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL6605546 0.79 NCF1 (0.57) ACHENPC1APOBEC3ARAB9AAPOBEC3G
SCHEMBL6204514 0.78 KDM4E (0.50) MCHR1KDM4ENPBWR1SMN1; SMN2MAPT
SCHEMBL6201684 0.78 KDM4E (0.50) MCHR1KDM4EALDH1A1NPBWR1MAPT
SCHEMBL30764223 0.73 ACHE (0.50) ACHEAPPBCHEGAAALDH1A1
SCHEMBL15521695 0.72 APP (0.57) ACHEAPPBCHEGAAALDH1A1
SCHEMBL14127817 0.72 KDM4E (0.55) MCHR1KDM4EALDH1A1NPBWR1SMN1; SMN2
SCHEMBL7474440 0.71 NCF1 (0.61) ALDH1A1SMN1; SMN2MAPT
SCHEMBL28603449 0.70 KDM4E (0.52) MCHR1KDM4EALDH1A1NPBWR1SMN1; SMN2
SCHEMBL28585527 0.70 KDM4E (0.52) MCHR1KDM4EALDH1A1NPBWR1SMN1; SMN2

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
EP-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885ACHE 505/4885NPC1 1624/4885

“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.