SCHEMBL550878

SCHEMBL550878

Cc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TTR P02766 2/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 1/20 0.44
VCAM1 P19320 1/20 0.44
RAB9A P51151 2/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL28050912 0.85 TSHR (0.77) TSHRTTRALDH1A1MAPTTDP1
SCHEMBL5981639 0.80 TTR (0.50) TSHRTTRALDH1A1MAPTTDP1
SCHEMBL5980348 0.80 TTR (0.50) TSHRTTRALDH1A1MAPTTDP1
SCHEMBL30822033 0.78 MAPK1 (0.55) TSHRALDH1A1MAPTTDP1KDM4E
SCHEMBL3778792 0.78 MAPK1 (0.55) TSHRALDH1A1MAPTTDP1KDM4E
SCHEMBL5155427 0.78 TSHR (0.66) TSHRTTRALDH1A1MAPTTDP1
SCHEMBL19306384 0.78 TSHR (0.66) TSHRALDH1A1MAPTPOLBKDM4E
SCHEMBL5981573 0.78 TSHR (0.71) TSHRALDH1A1MAPTTDP1POLB
SCHEMBL5981059 0.78 CES2 (0.47) TTRALDH1A1MAPTKMT2AMEN1
SCHEMBL27639958 0.78 MAPK1 (0.50) TSHRTTRALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
US-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 US disclosed
EP-1893567-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY Bayer CropScience AG (DE) 2008-03-05 EP disclosed
WO-2006133823-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2006-12-21 WO disclosed
US-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US disclosed
WO-2002044144-A2 NUCLEOPHILIC APPROACH FOR PREPARING RADIOLABELED IMAGING AGENTS AND ASSOCIATED COMPOUNDS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-06-06 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 (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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 TSHR 926/4885TTR 3602/4885ALDH1A1 2102/4885
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 TSHR 1767/4885TTR 1431/4885ALDH1A1 2747/4885

“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.