SCHEMBL2000342

SCHEMBL2000342

N=C(N)Nc1cc(NC(=N)N)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.41

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
Hydrochloric Acid SCHEMBL8886794 0.98 MEN1 (0.47) MEN1KMT2APOLBL3MBTL1PKM
SCHEMBL14747833 0.96 L3MBTL1 (0.53) MEN1KMT2APOLBL3MBTL1PKM
SCHEMBL2001036 0.89 L3MBTL1 (0.43) MEN1KMT2APOLBL3MBTL1PKM
SCHEMBL6376058 0.83 P2RY14 (0.50) GAA
SCHEMBL1185244 0.81 KMT2A (0.58) MEN1KMT2AL3MBTL1PKM
SCHEMBL2348474 0.81 KMT2A (0.44) MEN1KMT2APOLBL3MBTL1PKM
Hydrochloric Acid SCHEMBL29568124 0.80 KMT2A (0.57) MEN1KMT2AL3MBTL1PKM
Hydrochloric Acid SCHEMBL3839558 0.80 KMT2A (0.57) MEN1KMT2AL3MBTL1PKM
SCHEMBL15456304 0.80 ALDH1A1 (0.59) MEN1KMT2APOLBKDM4EGAA
Water SCHEMBL8887942 0.79 KMT2A (0.42) MEN1KMT2APOLBL3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US claimed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO claimed
EP-3320921-B1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA INC (US) 2022-01-05 EP disclosed
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2018-06-07 US disclosed
EP-3320921-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS Ala Wai Pharma, Inc. (US) 2018-05-16 EP disclosed
EP-2217216-B1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA INC (US) 2017-09-27 EP disclosed
US-20170157059-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2017-06-08 US disclosed
US-9579383-B2 Formulations for enhanced bioavailability of orally administered polar agents ALA WAI PHARMA, INC. (US) 2017-02-28 US disclosed
US-20140072627-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS ALA WAI PHARMA, INC. (US) 2014-03-13 US disclosed
US-8609139-B2 Formulations for enhanced bioavailability of orally administered polar agents ALA WAI PHARMA, INC. (US) 2013-12-17 US disclosed
US-20110206764-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS UNIVERSITY OF HAWAII 2011-08-25 US disclosed
US-7960459-B2 Curable composition KANEKA CORPORATION (JP) 2011-06-14 US disclosed
EP-1990371-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-05-05 EP disclosed
US-20090186993-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2009-07-23 US disclosed
EP-1990371-A1 CURABLE COMPOSITION Kaneka Corporation (JP) 2008-11-12 EP disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US 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 (4 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-20170157059-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885POLB 1531/4885
US-20110206764-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885POLB 1531/4885
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885POLB 1531/4885
US-20140072627-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885POLB 1531/4885

“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.