SCHEMBL5226904

SCHEMBL5226904

Cc1ccc([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPT P10636 2/20 0.65
CYP19A1 P11511 14/20 0.63
CYP11B1 P15538 2/20 0.61
CYP11B2 P19099 2/20 0.61
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CRHBP P24387 1/20 0.51
CYP2C19 P33261 1/20 0.51
CRHR2 Q13324 1/20 0.51
PPIA P62937 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL29503009 1.00 MEN1 (0.65) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL30354856 0.88 MEN1 (0.69) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL8808139 0.88 MEN1 (0.69) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL31418722 0.86 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL371728 0.86 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL30354869 0.84 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL5929724 0.84 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL30721937 0.84 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL2063456 0.84 MAPT (0.67) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL3298587 0.84 MEN1 (0.63) MEN1KMT2AMAPTCYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
CN-108430994-A Compound, composition and method for adjusting CFTR 蛋白质平衡治疗股份有限公司 2018-08-21 CN disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 WO disclosed
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO 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 (6 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G MEN1 4387/4885KMT2A 4758/4885MAPT 4767/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G MEN1 4387/4885KMT2A 4758/4885MAPT 4767/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G MEN1 4387/4885KMT2A 4758/4885MAPT 4767/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G MEN1 4387/4885KMT2A 4758/4885MAPT 4767/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 MEN1 1119/4885KMT2A 2083/4885MAPT 4291/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G MEN1 4387/4885KMT2A 4758/4885MAPT 4767/4885

“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.