SCHEMBL2347223

SCHEMBL2347223

NN=CNc1cc(NC=NN)cc(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
WDR5 P61964 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35

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 SCHEMBL8886810 0.98 MEN1 (0.38) MEN1KMT2ACYP1A2POLBL3MBTL1
SCHEMBL17938285 0.96 CYP1A2 (0.43) MEN1KMT2ACYP1A2POLBL3MBTL1
SCHEMBL2346378 0.90 MEN1 (0.37) MEN1KMT2ACYP1A2POLBL3MBTL1
SCHEMBL2346374 0.90 MEN1 (0.37) MEN1KMT2ACYP1A2POLBL3MBTL1
Water SCHEMBL8888461 0.87 P2RY12 (0.36) MEN1KMT2ACYP1A2POLBL3MBTL1
SCHEMBL2348478 0.84 KMT2A (0.44) MEN1KMT2ACYP1A2POLBL3MBTL1
Water SCHEMBL8887953 0.83 KMT2A (0.42) MEN1KMT2ACYP1A2POLBL3MBTL1
SCHEMBL6777725 0.82 RAB9A (0.50) MEN1KMT2APOLBL3MBTL1CA1
Hydrochloric Acid SCHEMBL7563152 0.79 TP53 (0.44) MEN1KMT2APOLBCA12CA1
Hydrochloric Acid SCHEMBL7563182 0.79 TP53 (0.44) MEN1KMT2APOLBCA12CA1

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 12 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-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 4278/4885CYP1A2 640/4885
US-20110206764-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885CYP1A2 640/4885
US-20180153817-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885CYP1A2 640/4885
US-20140072627-A1 FORMULATIONS FOR ENHANCED BIOAVAILABILITY OF ORALLY ADMINISTERED POLAR AGENTS SLC35A1, SLC29A2, NEU2 MEN1 2103/4885KMT2A 4278/4885CYP1A2 640/4885

“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.