SCHEMBL7247261

SCHEMBL7247261

COC(=O)c1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 7/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 6/20 0.50
MAPT P10636 4/20 0.50
RECQL P46063 1/20 0.49
HPGD P15428 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
SCHEMBL4604584 0.88 ATM (0.63) HTTGAASMN1; SMN2ATMALDH1A1
SCHEMBL561284 0.88 HTT (0.64) HTTGAASMN1; SMN2ALDH1A1KMT2A
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.85 SMN1; SMN2 (0.60) HTTGAASMN1; SMN2KMT2APOLB
SCHEMBL23471194 0.85 CA1 (0.54) HTTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8762477 0.83 HTT (0.59) HTTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11545673 0.82 HTT (0.53) HTTGAASMN1; SMN2ATMALDH1A1
SCHEMBL583563 0.82 HTT (0.58) HTTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL12852909 0.82 ATM (0.60) HTTSMN1; SMN2ATMALDH1A1KMT2A
SCHEMBL38446 0.82 HTT (0.58) HTTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL13307458 0.82 ATM (0.56) HTTGAASMN1; SMN2ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-6630496-B1 Antiinflammatory agents inhibit phospholipase 2, affecting both protaglandin and leukotriene production; indoles substituted in 2 position by 2,4-dioxo-thiazol-3-yl methylidene GENETICS INSTITUTE LLC 2003-10-07 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 (2 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-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 HTT 3830/4885GAA 3778/4885SMN1; SMN2 1482/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 HTT 3595/4885GAA 3365/4885SMN1; SMN2 1205/4885

“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.