SCHEMBL874350

SCHEMBL874350

CC(=O)Oc1ccc2nc(-c3cccc([N+](=O)[O-])c3)nc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ABCG2 Q9UNQ0 10/20 0.48
ABCB1 P08183 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL873872 0.84 POLB (0.53) KMT2AMAPTALDH1A1GAALMNA
SCHEMBL11917076 0.81 POLB (0.56) KMT2AMAPTALDH1A1GAALMNA
SCHEMBL259562 0.78 GUSB (0.64) KMT2AMAPTMEN1SMN1; SMN2KDM4E
SCHEMBL874141 0.78 POLB (0.67) KMT2AMAPTALDH1A1GAALMNA
SCHEMBL873954 0.78 LMNA (0.59) KMT2AMAPTALDH1A1LMNAHPGD
SCHEMBL11917094 0.78 POLB (0.54) KMT2AMAPTALDH1A1GAALMNA
SCHEMBL4780066 0.75 MEN1 (0.53) KMT2AMAPTGAAMEN1SMN1; SMN2
SCHEMBL4780078 0.75 MEN1 (0.53) KMT2AMAPTGAAMEN1SMN1; SMN2
SCHEMBL31399886 0.73 KMT2A (0.53) KMT2AMAPTALDH1A1GAALMNA
SCHEMBL916164 0.72 F2 (0.60) ALDH1A1LMNASMN1; SMN2CYP3A4CYP2C9

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 34 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-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
EP-2406236-A1 RHO KINASE INHIBITORS Surface Logix, Inc. (US) 2012-01-18 EP disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 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
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 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 (5 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MAPT 1198/4885ALDH1A1 2225/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MAPT 1198/4885ALDH1A1 2225/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MAPT 1198/4885ALDH1A1 2225/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MAPT 1198/4885ALDH1A1 2225/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 KMT2A 2324/4885MAPT 1198/4885ALDH1A1 2225/4885

“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.