SCHEMBL4249335

SCHEMBL4249335

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.71
CTSL P07711 3/20 0.71
MPO P05164 1/20 0.62
AKR1C3 P42330 4/20 0.62
AKR1C2 P52895 4/20 0.62
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
FBP1 P09467 1/20 0.55
MYC P01106 1/20 0.54
MAX P61244 1/20 0.54
KCNK2 O95069 1/20 0.54
KCNK10 P57789 1/20 0.54
GRIK1 P39086 1/20 0.53
AKR1B1 P15121 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C1 Q04828 1/20 0.52
GFER P55789 1/20 0.52
ANO1 Q5XXA6 1/20 0.51
ANO2 Q9NQ90 1/20 0.51

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
SCHEMBL4249101 0.88 CTSV (0.86) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL7325216 0.86 MPO (0.83) CTSVCTSLMPOAKR1C3AKR1C2
SCHEMBL3030579 0.85 CTSV (0.77) CTSVCTSLMPOAKR1C3AKR1C2
SCHEMBL354532 0.84 CTSV (1.00) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL5336704 0.83 CTSV (0.77) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL7331642 0.83 CTSV (0.77) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL14069980 0.83 CTSV (0.77) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL10721491 0.81 AKR1C3 (0.53) CTSVCTSLMPOAKR1C3AKR1C2
SCHEMBL13696982 0.81 CTSV (0.73) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL7331118 0.80 CTSV (1.00) CTSVCTSLAKR1C3AKR1C2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 US claimed
US-4921875-A Use of amino-substituted benzoic acids as remedies for diarrhea, and medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 US claimed
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 US disclosed
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 US disclosed
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 US disclosed
US-4921875-A Use of amino-substituted benzoic acids as remedies for diarrhea, and medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 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-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME CLIC1, ASIC1, CLIC4 CTSV 3420/4885CTSL 3181/4885MPO 3056/4885

“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.