SCHEMBL683542

SCHEMBL683542

CCN(CC)CCn1c(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA3 Q9Y6Q9 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NCOA1 Q15788 1/20 0.54
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 3/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
MAOB P27338 1/20 0.48
ADORA2A P29274 2/20 0.48
ADORA2B P29275 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA1 P30542 1/20 0.48
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PCSK9 Q8NBP7 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47

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 SCHEMBL11381068 0.99 NCOA3 (0.53) NCOA3MEN1KMT2ANCOA1ALDH1A1
SCHEMBL683888 0.89 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL11381649 0.88 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL684271 0.87 TSHR (0.54) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL683962 0.86 ADORA2B (0.62) MEN1KMT2AALDH1A1HTTTSHR
Hydrochloric Acid SCHEMBL11384998 0.86 TSHR (0.53) MEN1KMT2AALDH1A1HTTTSHR
Hydrochloric Acid SCHEMBL11388923 0.85 ADORA2B (0.61) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL682765 0.84 MAOB (0.49) ALDH1A1POLBMAOBADORA2AADORA2B
SCHEMBL684311 0.83 MLNR (0.53) NCOA3MEN1KMT2ANCOA1ALDH1A1
SCHEMBL682759 0.82 SMN1; SMN2 (0.53) ALDH1A1HTTTSHRLMNAMAOB

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
US-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US claimed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP claimed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF NCOA3 806/4885MEN1 1910/4885KMT2A 1893/4885

“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.