SCHEMBL20183537

SCHEMBL20183537

COc1ccc(-c2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
MAPT P10636 4/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
ALDH1A1 P00352 2/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.53
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 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
SCHEMBL10055046 0.85 PTPRF (0.68) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL13812984 0.84 MAPT (0.62) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL9082348 0.80 KMT2A (0.59) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL5605070 0.80 PTPRF (0.69) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL20183626 0.79 PTPRF (0.68) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL8477184 0.78 PLAU (0.62) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL20183484 0.78 MAPT (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL14950721 0.78 ALDH1A1 (0.58) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL20183469 0.78 MAPT (0.60) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL20183685 0.78 PTPRF (0.51) KMT2AMEN1MAPTALDH1A1KDM4E

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 4 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
CN-108349875-B Compound having BLT inhibitory activity and composition for preventing or treating inflammatory disease comprising the same as active ingredient 东国大学校产学协力团 2021-08-27 CN 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 KMT2A 1026/4885MEN1 3684/4885MAPT 969/4885

“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.