SCHEMBL733049

SCHEMBL733049

NCCNC(=O)c1cnccn1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
SMYD3 Q9H7B4 1/20 0.56
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53

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 SCHEMBL10710345 0.98 KDM4E (0.61) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL28223294 0.90 KDM4E (0.68) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL10674362 0.86 KDM4E (0.67) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL30834477 0.83 KDM4E (0.50) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL1428913 0.83 KDM4E (0.63) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL30096713 0.83 KDM4E (0.72) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL6360168 0.83 KDM4E (0.77) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL27890663 0.81 KDM4E (0.61) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL6359528 0.80 KDM4E (0.88) KDM4EHPGDLMNAKMT2ASMN1; SMN2
SCHEMBL30096625 0.80 KDM4E (0.60) KDM4EHPGDLMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
CN-107207509-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 CN disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-4596813-A Pyridylcarbonyl and thiocarbonyl derivatives useful as fungicides CHEVRON RESEARCH COMPANY (US) 1986-06-24 US disclosed
EP-0082665-A1 Phenol esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-29 EP 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 (2 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KDM4E 610/4885HPGD 770/4885LMNA 2069/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 KDM4E 105/4885HPGD 3370/4885LMNA 3551/4885

“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.