SCHEMBL13802479

SCHEMBL13802479

O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK2 O95069 2/20 0.61
KCNK10 P57789 2/20 0.61
ACLY P53396 1/20 0.58
AKR1C2 P52895 2/20 0.57
AKR1C1 Q04828 2/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
RORC P51449 1/20 0.49
P2RX1 P51575 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
ALB P02768 1/20 0.47
GRIK1 P39086 1/20 0.47
MPO P05164 1/20 0.47
SERPINE1 P05121 1/20 0.46
PYGL P06737 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13802477 0.81 AKR1C4 (0.78) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL418647 0.80 SERPINE1 (0.66) KCNK2KCNK10ACLYAKR1C2AKR1C1
SCHEMBL5225002 0.77 HTT (0.70) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL8055373 0.74 KMT2A (0.53) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL13802452 0.74 AKR1C2 (0.78) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL21930987 0.73 ACLY (1.00) ACLYSERPINE1
SCHEMBL4825507 0.73 P2RX1 (0.51) KCNK2KCNK10P2RX1TMPRSS4MAPT
SCHEMBL8058017 0.73 MAPT (0.62) AKR1C2AKR1C1AKR1C4AKR1C3RORC
SCHEMBL4249335 0.73 CTSV (0.71) KCNK2KCNK10AKR1C2AKR1C1AKR1C4
SCHEMBL4209269 0.73 MAPT (0.70) KCNK2KCNK10P2RX1TMPRSS4MAPT

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 KCNK2 2183/4885KCNK10 2814/4885ACLY 928/4885

“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.