SCHEMBL7747536

SCHEMBL7747536

CN(C)c1ccc(/C=N/NC(=N)N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.71
MAPT P10636 11/20 0.60
KDM4E B2RXH2 8/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
GAA P10253 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
GLA P06280 2/20 0.60
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 9/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.56
PKM P14618 4/20 0.56
ESRRG P62508 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
GRIN2D O15399 2/20 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
SCHEMBL7747538 1.00 MAOA (0.71) MAOAMAPTKDM4ENPC1RAB9A
SCHEMBL16224329 0.86 MAOA (0.66) MAOAMAPTKDM4ENPC1RAB9A
SCHEMBL10054978 0.86 KDM4E (0.63) MAOAMAPTKDM4ERAB9AGAA
SCHEMBL4336886 0.83 MAOA (1.00) MAOAMAPTKDM4ENPC1RAB9A
SCHEMBL13381428 0.83 MAOA (0.71) MAOAMAPTKDM4ENPC1RAB9A
SCHEMBL4336882 0.83 MAOA (1.00) MAOAMAPTKDM4ENPC1RAB9A
SCHEMBL7743107 0.83 ALDH1A1 (0.74) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL7743104 0.83 ALDH1A1 (0.74) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL17044464 0.82 NOX1 (0.54) MAOAMAPTKDM4ENPC1RAB9A
SCHEMBL17044465 0.82 NOX1 (0.54) MAOAMAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
EP-3508516-B1 VULCANIZED RUBBER COMPOSITION AND PRODUCTION PROCESS THEREFOR MITSUBISHI GAS CHEMICAL CO (JP) 2020-09-23 EP disclosed
EP-3508516-A1 VULCANIZED RUBBER COMPOSITION AND PRODUCTION PROCESS THEREFOR Mitsubishi Gas Chemical Company, Inc. (JP) 2019-07-10 EP disclosed
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2019-07-04 US disclosed
EP-3156394-B1 ALKYLIDENE AMINOGANIDINE AND SALT THEREOF, MODIFIER COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-17 EP disclosed
US-10246526-B2 Vulcanized rubber composition and production method thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-04-02 US disclosed
US-10173973-B2 Alkylidene aminoguanidine and salt thereof, modifying composition, modified rubber for tire, rubber composition for tire, and tire MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-01-08 US disclosed
US-20180355074-A1 VULCANIZED RUBBER COMPOSITION AND PRODUCTION METHOD THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-12-13 US disclosed
US-20170129850-A1 ALKYLIDENE AMINOGUANIDINE AND SALT THEREOF, MODIFYING COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-05-11 US disclosed
EP-3156394-A1 ALKYLIDENE AMINOGANIDINE AND SALT THEREOF, MODIFIER COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE Mitsubishi Gas Chemical Company, Inc. (JP) 2017-04-19 EP disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-8450368-B2 Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy UNIVERSITY OF MARYLAND, BALTIMORE (US) 2013-05-28 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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 (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-20170129850-A1 ALKYLIDENE AMINOGUANIDINE AND SALT THEREOF, MODIFYING COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE TAAR1, PRMT9, RASGRP1 MAOA 1524/4885MAPT 4377/4885KDM4E 1756/4885
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX MAOA 104/4885MAPT 3791/4885KDM4E 2274/4885
US-20190201414-A1 INHIBITOR OF HEME DEGRADATION FOR USE TO IMPROVE ANTIBIOTIC TREATMENT OF MYCOBACTERIUM TUBERCULOSIS INFECTION HMOX1, HMOX2, PPOX MAOA 402/4885MAPT 1792/4885KDM4E 2238/4885
US-10173973-B2 Alkylidene aminoguanidine and salt thereof, modifying composition, modified rubber for tire, rubber composition for tire, and tire TAAR1, PRMT9, RASGRP1 MAOA 1524/4885MAPT 4377/4885KDM4E 1756/4885

“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.