SCHEMBL2161589

SCHEMBL2161589

Cc1cc(-n2nc(C(F)(F)F)nc2C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.39
SIRT6 Q8N6T7 1/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
AR P10275 2/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
PGR P06401 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL2161267 0.92 HPGD (0.42) HPGDTSHRGAASIRT6MAPT
SCHEMBL1837878 0.92 HPGD (0.42) HPGDTSHRGAASIRT6MAPT
SCHEMBL2892001 0.80 HPGD (0.39) HPGDTSHRGAASIRT6MAPT
SCHEMBL2161833 0.79 PTGS1 (0.49) MAPTPOLBSMN1; SMN2LMNARAB9A
SCHEMBL1834850 0.78 KDM4E (0.39) HPGDTSHRGAAMAPTSMN1; SMN2
SCHEMBL1831264 0.77 DCTPP1 (0.36) HPGDTSHRGAAMAPTPOLB
SCHEMBL12402474 0.77 HPGD (0.47) HPGDTSHRGAAMAPTPOLB
SCHEMBL1831803 0.76 TRPC3 (0.50) HPGDTSHRGAALMNACYP3A4
SCHEMBL2891803 0.73 HPGD (0.43) HPGDTSHRGAASIRT6MAPT
SCHEMBL1833080 0.72 HPGD (0.34) HPGDTSHRGAAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 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 (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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 HPGD 2921/4885TSHR 2047/4885GAA 4457/4885

“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.