SCHEMBL6010819

SCHEMBL6010819

COc1cc(Cl)cc([N+](=O)[O-])c1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
ERN1 O75460 2/20 0.51
TTR P02766 2/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
JUN P05412 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
GPR35 Q9HC97 2/20 0.49
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
GFER P55789 1/20 0.48
DUSP3 P51452 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10983620 0.82 ALDH1A1 (0.47) MAPTSMN1; SMN2TDP1LMNAGPR35
SCHEMBL23751958 0.82 TTR (0.61) EGFRERN1TTRMAPTSMN1; SMN2
SCHEMBL17744307 0.82 PDK1 (0.48) EGFRTTRMAPTPOLBTDP1
SCHEMBL31276843 0.82 TTR (0.47) TTRMAPTPOLBTDP1MEN1
SCHEMBL6010796 0.81 GPR35 (0.63) TTRMAPTPOLBTDP1MEN1
SCHEMBL11070819 0.81 GPR35 (0.69) EGFRERN1TTRMAPTSMN1; SMN2
SCHEMBL8580120 0.81 ERN1 (0.64) EGFRERN1TTRMAPTSMN1; SMN2
SCHEMBL28825199 0.81 ALDH1A1 (0.46) MAPTSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL4018068 0.79 KDM4E (0.47) MAPTSMN1; SMN2TDP1MEN1KMT2A
SCHEMBL20022338 0.79 TTR (0.66) EGFRERN1TTRMAPTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020718-B1 NOVEL PDE4 INHIBITOR MEIJI SEIKA PHARMA CO LTD (JP) 2018-12-26 EP disclosed
US-9890142-B2 PDE4 inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-13 US disclosed
US-9850235-B2 2017-12-26 US disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 US disclosed
US-20160159783-A1 PDE4 Inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-06-09 US disclosed
EP-3020718-A1 NOVEL PDE4 INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2016-05-18 EP disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 WO disclosed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
CN-1333771-A Benzoxazole derivative and drug containing the same as active ingredient MEIJI SEIKA KAISHA (JP) 2002-01-30 CN disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 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 (2 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-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 EGFR 2367/4885ERN1 1845/4885TTR 351/4885
US-20160159783-A1 PDE4 Inhibitor PDE4A, PDE4B, PDE3B EGFR 4435/4885ERN1 1526/4885TTR 4406/4885

“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.