SCHEMBL873861

SCHEMBL873861

COc1cc([N+](=O)[O-])c(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 6/20 0.60
▸ CTSL P07711 6/20 0.60
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 2/20 0.54
▸ ABCB1 P08183 1/20 0.52
▸ SRD5A1 P18405 2/20 0.51
▸ SRD5A2 P31213 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 2/20 0.51
▸ GAA P10253 1/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 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
SCHEMBL159283 1.00 CTSV (0.60) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL16053347 0.94 CTSV (0.56) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL8316504 0.94 CTSV (0.61) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL38657998 0.93 LMNA (0.64) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL31151917 0.92 CTSV (0.53) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL340310 0.91 MEN1 (0.56) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL13936617 0.91 MEN1 (0.56) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL1013111 0.90 MEN1 (0.57) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL3420694 0.90 LMNA (0.55) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL2063806 0.90 MEN1 (0.57) CTSVCTSLMEN1KMT2AALDH1A1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 — — US disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 — — WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 — — EP disclosed
US-20070191309-A1 Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-08-16 — — US disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 — — WO disclosed
EP-1696914-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-06 — — EP disclosed
WO-2005058318-A1 3-CYANO-QUINOLINE DERIVATIVES WITH ANTIPROLIFERATIVE ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-30 — — WO disclosed
US-6800644-B2 PHOSPHODIESTERASE-4 INHIBITOR, AMINOQUINOLINE OR AMINOISOQUINOLINE DERIVATIVES EISAI CO., LTD. (JP) 2004-10-05 — — US disclosed
US-20020055516-A1 Nitrogen-containing heterocyclic compounds and medicaments containing the compounds EISAI CO., LTD. 2002-05-09 — — US disclosed
US-6352989-B1 ENZYME INHIBITORS FOR PHOSPHODIESTERASE EISAI CO., LTD. (JP) 2002-03-05 — — US disclosed
EP-1052254-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2000-11-15 — — 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 (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-20020055516-A1 Nitrogen-containing heterocyclic compounds and medicaments containing the compounds PDE4A, PDE4B, PDE5A CTSV 2609/4885CTSL 1963/4885MEN1 1229/4885
US-20070191309-A1 Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines CBR3, CBR1, CYCS CTSV 2732/4885CTSL 2075/4885MEN1 3326/4885
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CTSV 1636/4885CTSL 1752/4885MEN1 385/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CTSV 1636/4885CTSL 1752/4885MEN1 385/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CTSV 1636/4885CTSL 1752/4885MEN1 385/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 CTSV 1636/4885CTSL 1752/4885MEN1 385/4885

“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.

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