SCHEMBL20183626

SCHEMBL20183626

O=[N+]([O-])c1cccc(-c2ccc(CNc3ccccc3)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.68
PTPN2 P17706 1/20 0.68
PTPN1 P18031 1/20 0.68
PTPN11 Q06124 1/20 0.68
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.52
FFAR1 O14842 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.49
CYP2C19 P33261 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL20183685 0.87 PTPRF (0.51) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL5605070 0.84 PTPRF (0.69) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL7338580 0.84 PTPRF (0.69) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL10055046 0.84 PTPRF (0.68) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL627885 0.82 PTPRF (1.00) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL7838339 0.82 LMNA (0.64) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL29526232 0.80 TSHR (0.67) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL2009026 0.80 TSHR (0.67) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL20183537 0.79 KMT2A (0.59) PTPRFPTPN2PTPN1PTPN11MAPT
SCHEMBL25760803 0.78 FFAR1 (0.63) MEN1KMT2AFFAR1CYP1A2CYP3A4

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.