SCHEMBL874353

SCHEMBL874353

COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
MAPT P10636 4/20 0.66
NPC1 O15118 3/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SETD7 Q8WTS6 1/20 0.57
IRAK4 Q9NWZ3 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 1/20 0.57
PYGL P06737 5/20 0.56
PYGM P11217 1/20 0.55
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL259543 0.86 MEN1 (0.68) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL882704 0.85 SETD7 (0.68) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL11917074 0.85 MEN1 (0.60) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL4251085 0.83 MAPT (0.70) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL874118 0.83 AKR1C3 (0.71) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL882472 0.82 RAB9A (0.67) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL11917091 0.81 NPC1 (0.58) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL9423144 0.80 MAPT (1.00) RAB9AMAPTNPC1ALDH1A1KMT2A
SCHEMBL13351709 0.80 MEN1 (0.52) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL13298828 0.80 RAB9A (0.65) RAB9ANPC1ALDH1A1KMT2AMEN1

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 33 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
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
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
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 RAB9A 455/4885MAPT 1198/4885NPC1 238/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 RAB9A 455/4885MAPT 1198/4885NPC1 238/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 RAB9A 455/4885MAPT 1198/4885NPC1 238/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 RAB9A 455/4885MAPT 1198/4885NPC1 238/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 RAB9A 455/4885MAPT 1198/4885NPC1 238/4885

“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.