SCHEMBL17044441

SCHEMBL17044441

N=C(N)NN=Cc1ccc(F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
GCGR P47871 6/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GUSB P08236 1/20 0.40
CYP1A2 P05177 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
PSMD14 O00487 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL6521089 0.98 MAOB (0.47) MAOBGCGRKMT2AMEN1NPC1
SCHEMBL7748686 0.81 MAOB (0.71) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL7748684 0.81 MAOB (0.71) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL31105725 0.81 MAOB (0.71) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL31105793 0.80 MAOB (0.44) MAOBKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL17560818 0.80 MAOB (0.69) MAOBKMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL17560820 0.80 MAOB (0.69) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL18131612 0.77 MAOB (0.42) MAOBNPC1RAB9ACYP1A2MAPT
SCHEMBL31105644 0.77 MAOB (0.42) MAOBNPC1RAB9ACYP1A2MAPT
SCHEMBL18131611 0.77 MAOB (0.42) MAOBNPC1RAB9ACYP1A2MAPT

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 1 patent. 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

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 1364/4885GCGR 295/4885KMT2A 632/4885

“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.