SCHEMBL3052803

SCHEMBL3052803

O=C(c1ccncc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
HTT P42858 3/20 0.68
PKM P14618 2/20 0.68
KDM4E B2RXH2 1/20 0.68
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 3/20 0.50
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 0.50
ATM Q13315 2/20 0.50
SLC2A1 P11166 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3059551 0.88 L3MBTL1 (0.62) ALDH1A1HTTPKMKDM4EKMT2A
SCHEMBL1336792 0.87 ALDH1A1 (0.62) ALDH1A1HTTPKMKDM4EKMT2A
SCHEMBL1336794 0.87 ALDH1A1 (0.62) ALDH1A1HTTPKMKDM4EKMT2A
SCHEMBL3065721 0.83 ALDH1A1 (0.62) ALDH1A1HTTPKMKDM4EKMT2A
SCHEMBL3060251 0.83 TSHR (0.71) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL3058427 0.79 ALDH1A1 (0.57) ALDH1A1HTTPKMKDM4EKMT2A
SCHEMBL3054466 0.79 NPC1 (0.66) KDM4EKMT2AMEN1TSHRGAA
SCHEMBL3053571 0.78 MAPK14 (0.63) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL3058477 0.77 TSHR (0.55) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL3065531 0.76 TSHR (0.54) KDM4EKMT2AMEN1TSHRGAA

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
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 ALDH1A1 347/4885HTT 236/4885PKM 1628/4885

“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.