SCHEMBL20183685

SCHEMBL20183685

O=[N+]([O-])c1cccc(-c2ccc(CNc3cccc(F)c3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL20183626 0.87 PTPRF (0.68) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL10055046 0.82 PTPRF (0.68) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL11512757 0.81 FFAR1 (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL14782125 0.78 TSHR (0.59) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL20183537 0.78 KMT2A (0.59) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL10055035 0.78 HPGD (0.67) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL5605070 0.77 PTPRF (0.69) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL6699468 0.76 PTPRF (0.78) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL20557373 0.76 TSHR (0.57) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL30469315 0.76 TSHR (0.57) MAPTALDH1A1TDP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327001-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2022-04-13 EP disclosed
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-02 US disclosed
EP-3327001-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 EP 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-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R PTPRF 2884/4885PTPN2 2633/4885PTPN1 3818/4885

“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.