SCHEMBL7748700

SCHEMBL7748700

N=C(N)NN=Cc1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 5/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOB P27338 1/20 0.45
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL7748696 1.00 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31105723 1.00 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7747578 0.98 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7747576 0.98 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Acetic Acid SCHEMBL21519428 0.91 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4698577 0.86 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4698447 0.86 MAPT (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL17561003 0.84 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL21538104 0.83 KMT2A (0.64) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28884203 0.83 GAA (0.68) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 13 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
US-10954198-B2 Benzylideneguanidine derivatives and therapeutic use for the treatment of protein misfolding diseases UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2021-03-23 US disclosed
US-20200289436-A1 NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES INFLECTIS BIOSCIENCE (FR) 2020-09-17 US disclosed
US-10709677-B2 Therapeutic uses of benzylideneguanidine derivatives for the treatment of proteopathies INFLECTIS BIOSCIENCE (FR) 2020-07-14 US disclosed
US-20200095210-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases INFLECTIS BIOSCIENCE (FR) 2020-03-26 US disclosed
US-20180354914-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases MEDICAL RESEARCH COUNCIL (GB) 2018-12-13 US disclosed
US-10100020-B2 Benzylideneguanidine derivatives and therapeutic use for the treatment of protein misfolding diseases UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2018-10-16 US disclosed
US-20170247344-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2017-08-31 US disclosed
US-9682943-B2 Benzylideneguanidine derivatives and therapeutic use for the treatment of protein misfolding diseases MEDICAL RESEARCH COUNCIL (GB) 2017-06-20 US disclosed
US-20170151196-A1 NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES INFLECTIS BIOSCIENCE (FR) 2017-06-01 US disclosed
EP-3115357-A1 BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF PROTEIN MISFOLDING DISEASES Medical Research Council (GB) 2017-01-11 EP disclosed
EP-2943467-B1 BENZYLIDENEGUANIDINE DERIVATIVES AND THERAPEUTIC USE FOR THE TREATMENT OF PROTEIN MISFOLDING DISEASES MEDICAL RES COUNCIL (GB) 2016-07-13 EP disclosed
US-20160046589-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2016-02-18 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 (9 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-20200095210-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases ATXN2L, BCL9L, ATXN10 MAPT 241/4885SMN1; SMN2 178/4885NPC1 2664/4885
US-20170247344-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases ATXN2L, BCL9L, ATXN10 MAPT 241/4885SMN1; SMN2 178/4885NPC1 2664/4885
US-10709677-B2 Therapeutic uses of benzylideneguanidine derivatives for the treatment of proteopathies PPP1R15A, PPP1R15B, PPP3R1 MAPT 67/4885SMN1; SMN2 180/4885NPC1 2006/4885
US-10100020-B2 Benzylideneguanidine derivatives and therapeutic use for the treatment of protein misfolding diseases ATXN2L, BCL9L, ATXN10 MAPT 241/4885SMN1; SMN2 178/4885NPC1 2664/4885
US-20180354914-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases RTN3, ATXN2L, PARK7 MAPT 330/4885SMN1; SMN2 253/4885NPC1 3048/4885
US-20170151196-A1 NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES PPP1R15A, PPP1R15B, PSMG3 MAPT 79/4885SMN1; SMN2 190/4885NPC1 2187/4885
US-20160046589-A1 Benzylideneguanidine Derivatives and Therapeutic Use for the Treatment of Protein Misfolding Diseases ATXN2L, BCL9L, ATXN10 MAPT 241/4885SMN1; SMN2 178/4885NPC1 2664/4885
US-10954198-B2 Benzylideneguanidine derivatives and therapeutic use for the treatment of protein misfolding diseases ATXN2L, BCL9L, ATXN10 MAPT 241/4885SMN1; SMN2 178/4885NPC1 2664/4885
US-20200289436-A1 NOVEL THERAPEUTIC USES OF BENZYLIDENEGUANIDINE DERIVATIVES FOR THE TREATMENT OF PROTEOPATHIES PPP1R15A, PPP1R15B, PSMG3 MAPT 76/4885SMN1; SMN2 161/4885NPC1 1959/4885

“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.