SCHEMBL2335529

SCHEMBL2335529

COc1ccc(C=NNC(=N)N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.71
CYP1A2 P05177 1/20 0.64
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 1/20 0.62
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.51
HDAC3 O15379 1/20 0.51

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
SCHEMBL3470485 1.00 MAOA (0.71) MAOACYP1A2KMT2ASMN1; SMN2POLB
Acetic Acid SCHEMBL11512680 0.93 CYP1A2 (0.68) MAOACYP1A2KMT2ASMN1; SMN2POLB
Acetic Acid SCHEMBL11512683 0.93 CYP1A2 (0.68) MAOACYP1A2KMT2ASMN1; SMN2POLB
SCHEMBL13985373 0.88 FAAH (0.63) MAOACYP1A2KMT2ASMN1; SMN2POLB
SCHEMBL18251625 0.86 CYP1A2 (0.68) MAOACYP1A2KMT2ASMN1; SMN2POLB
SCHEMBL20625796 0.86 SCN4A (0.60) MAOACYP1A2SMN1; SMN2RAB9ANPC1
SCHEMBL10054978 0.86 KDM4E (0.63) MAOACYP1A2KMT2ASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL18245478 0.85 CYP1A2 (0.66) MAOACYP1A2KMT2ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL18245477 0.85 CYP1A2 (0.66) MAOACYP1A2KMT2ASMN1; SMN2POLB
SCHEMBL7750403 0.83 KMT2A (0.59) MAOACYP1A2KMT2ASMN1; SMN2POLB

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
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
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-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-8518940-B2 FP-pocket-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-08-27 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
WO-2011097600-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2011-08-11 WO disclosed
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 US disclosed
US-20010044457-A1 Cancer Treatment CAMDEN JAMES BERGER (US) 2001-11-22 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 (6 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 1524/4885CYP1A2 1588/4885KMT2A 1994/4885
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity TERT, TERB1, TERF2 MAOA 3941/4885CYP1A2 4022/4885KMT2A 2921/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT MAOA 4242/4885CYP1A2 4657/4885KMT2A 2483/4885
US-20010044457-A1 Cancer Treatment EWSR1, ABL1, MUSK MAOA 2446/4885CYP1A2 707/4885KMT2A 220/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 MAOA 3941/4885CYP1A2 4022/4885KMT2A 2921/4885
US-10173973-B2 Alkylidene aminoguanidine and salt thereof, modifying composition, modified rubber for tire, rubber composition for tire, and tire TAAR1, PRMT9, RASGRP1 MAOA 1524/4885CYP1A2 1588/4885KMT2A 1994/4885

“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.