SCHEMBL9272017

SCHEMBL9272017

C=C1C2CCC1c1c2cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
GPR35 Q9HC97 2/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A1 P22736 1/20 0.35
S100A4 P26447 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4572402 0.82 TDP1 (0.41) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL4572413 0.78 GPR35 (0.41) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL12446428 0.78 GPR35 (0.44) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL6979277 0.77 GPR35 (0.40) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL6982116 0.77 TDP1 (0.40) TDP1GPR35CHRNB2CHRNA4MAPT
SCHEMBL4572414 0.77 GPR35 (0.40) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL4572403 0.77 GPR35 (0.40) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL14977883 0.75 TDP1 (0.38) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL9269601 0.75 TDP1 (0.38) TDP1GPR35CHRNB2CHRNA4ALDH1A1
SCHEMBL12677202 0.75 GPR35 (0.38) TDP1GPR35CHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878970-B1 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2018-01-30 US disclosed
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES SYNGENTA CROP PROTECTION, LLC (US) 2018-01-18 US disclosed
US-9796646-B2 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2017-10-24 US disclosed
US-9115043-B2 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2015-08-25 US disclosed
US-20150141712-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-21 US disclosed
US-8524915-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
US-8519151-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
US-8507694-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
US-8450499-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-05-28 US disclosed
US-20130041161-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-14 US disclosed
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-14 US disclosed
US-20130035495-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-07 US disclosed
US-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION LLC (US) 2013-02-07 US disclosed
US-20120136162-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-31 US disclosed
US-20110207958-A1 PROCESS FOR THE PREPARATION OF BENZONORGORNENES SYNGENTA CROP PROTECTION LLC (US) 2011-08-25 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 (8 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-20150141712-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES CCL5, CXCR2, CXCR3 TDP1 3441/4885GPR35 3913/4885CHRNB2 3150/4885
US-20130041161-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES ACAD9, F9, CYP2F1 TDP1 4080/4885GPR35 2160/4885CHRNB2 4688/4885
US-20130035496-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES F5, F12, F9 TDP1 4663/4885GPR35 2261/4885CHRNB2 3527/4885
US-20130035495-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES F5, F7, F8 TDP1 4700/4885GPR35 2951/4885CHRNB2 3989/4885
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES CCL5, CXCR2, CXCR3 TDP1 3639/4885GPR35 3512/4885CHRNB2 2828/4885
US-20120136162-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES PAM, AADAC, CYP3A4 TDP1 2606/4885GPR35 2075/4885CHRNB2 4273/4885
US-20130041160-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES CBR3, F12, CBR1 TDP1 4317/4885GPR35 3773/4885CHRNB2 2699/4885
US-20110207958-A1 PROCESS FOR THE PREPARATION OF BENZONORGORNENES CBR1, CBR3, CYC1 TDP1 3399/4885GPR35 3286/4885CHRNB2 910/4885

“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.