SCHEMBL7747082

SCHEMBL7747082

N=C(N)NN=Cc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SCN4A P35499 1/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7747081 1.00 MAOB (0.50) MAOBKDM4EPOLBKMT2ATAAR1
Hydrochloric Acid SCHEMBL5702977 0.98 MAOB (0.49) MAOBKDM4EPOLBKMT2ATAAR1
Hydrochloric Acid SCHEMBL5702982 0.98 MAOB (0.49) MAOBKDM4EPOLBKMT2ATAAR1
SCHEMBL17044401 0.86 LMNA (0.49) MAOBKDM4EPOLBKMT2ATAAR1
SCHEMBL17044403 0.86 LMNA (0.49) MAOBKDM4EPOLBKMT2ATAAR1
Hydrochloric Acid SCHEMBL6511737 0.85 LMNA (0.48) MAOBKDM4EPOLBKMT2ATAAR1
Hydrochloric Acid SCHEMBL6511744 0.85 LMNA (0.48) MAOBKDM4EPOLBKMT2ATAAR1
SCHEMBL31105778 0.84 MAOB (0.41) MAOBKDM4EPOLBKMT2ATAAR1
SCHEMBL7748759 0.83 MAOB (0.74) MAOBPOLBKMT2ALMNANPC1
SCHEMBL7748756 0.83 MAOB (0.74) MAOBPOLBKMT2ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 1364/4885KDM4E 1568/4885POLB 2406/4885

“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.