SCHEMBL7747519

SCHEMBL7747519

COc1ccc(C=NNC(=N)N)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GFER P55789 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
MMP9 P14780 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.49
HPGD P15428 3/20 0.48

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
SCHEMBL7747517 1.00 MAPT (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL915893 0.99 MAPT (0.55) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL915892 0.99 MAPT (0.55) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL24211909 0.88 ALDH1A1 (0.63) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL1157558 0.86 MAPT (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL1157559 0.86 MAPT (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL1157562 0.85 MAPT (0.55) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7747076 0.84 SMN1; SMN2 (0.64) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7747080 0.84 SMN1; SMN2 (0.64) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL17044495 0.83 KDM4E (0.51) MAPTKDM4EALDH1A1KMT2ASMN1; 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 3 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 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 (1 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885KDM4E 1568/4885ALDH1A1 4570/4885

“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.