SCHEMBL17044486

SCHEMBL17044486

COc1cc(C=NNC(=N)N)cc(Br)c1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.56
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL17044485 1.00 SMN1; SMN2 (0.58) SMN1; SMN2HPGDMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL5703185 0.99 SMN1; SMN2 (0.57) SMN1; SMN2HPGDMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL5703189 0.99 SMN1; SMN2 (0.57) SMN1; SMN2HPGDMAPTLMNAKMT2A
SCHEMBL7743096 0.90 HPGD (0.68) SMN1; SMN2HPGDMAPTLMNAKMT2A
SCHEMBL7743100 0.90 HPGD (0.68) SMN1; SMN2HPGDMAPTLMNAKMT2A
SCHEMBL19449737 0.89 HPGD (0.58) SMN1; SMN2HPGDMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6515900 0.89 HPGD (0.66) SMN1; SMN2HPGDMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL6515894 0.89 HPGD (0.66) SMN1; SMN2HPGDMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL17560910 0.88 HPGD (0.57) SMN1; SMN2HPGDMAPTLMNAKMT2A
SCHEMBL7743098 0.86 MAPT (0.47) SMN1; SMN2HPGDMAPTLMNAKMT2A

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 SMN1; SMN2 1337/4885HPGD 3943/4885MAPT 2646/4885

“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.