SCHEMBL2220657

SCHEMBL2220657

O=C(N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
MCHR1 Q99705 1/20 0.47
MGLL Q99685 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CCR2 P41597 2/20 0.47
KDM5A P29375 2/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
F2R P25116 2/20 0.43
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
RIPK1 Q13546 1/20 0.42
NAMPT P43490 1/20 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
SCHEMBL2220665 1.00 HSD11B1 (0.48) HSD11B1MCHR1MGLLTAS1R3TAS1R1
SCHEMBL2218390 0.83 KDM5A (0.56) MCHR1MGLLCCR2KDM5AALDH1A1
SCHEMBL2218385 0.83 KDM5A (0.56) MCHR1MGLLCCR2KDM5AALDH1A1
SCHEMBL2218649 0.79 KDM5A (0.57) KDM5AALDH1A1MAPT
SCHEMBL2218650 0.79 KDM5A (0.57) KDM5AALDH1A1MAPT
SCHEMBL2217275 0.76 HSD11B1 (0.44) HSD11B1MGLLALDH1A1EPHX2MAPT
SCHEMBL2217271 0.76 HSD11B1 (0.44) HSD11B1MGLLALDH1A1EPHX2MAPT
SCHEMBL2472926 0.75 TAS1R3 (0.67) MCHR1TAS1R3TAS1R1TAS1R2CCR2
SCHEMBL2217845 0.72 LTA4H (0.47) MGLLALDH1A1MAPT
SCHEMBL2217847 0.72 LTA4H (0.47) MGLLALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
CN-102105470-B Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2014-06-04 CN disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 HSD11B1 3190/4885MCHR1 4535/4885MGLL 692/4885

“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.