SCHEMBL6784178

SCHEMBL6784178

O=C1CCCN1CC1CC(c2cccnc2)=NO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PORCN Q9H237 1/20 0.38
CYP1A2 P05177 2/20 0.37

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
SCHEMBL6783767 0.78 CHRM1 (0.51) CA12CA9KDM4EALDH1A1MEN1
SCHEMBL14402357 0.70 CA12 (0.49) CA12CA9L3MBTL1KDM4EALDH1A1
SCHEMBL6776019 0.70 CHRM1 (0.64) ADRA1DADRA1A
SCHEMBL3559711 0.70 TSHR (0.38) L3MBTL1KDM4EALDH1A1TSHRMEN1
SCHEMBL3559713 0.70 TSHR (0.38) L3MBTL1KDM4EALDH1A1TSHRMEN1
SCHEMBL13363921 0.69 CA12 (0.48) CA12CA9L3MBTL1KDM4EALDH1A1
SCHEMBL3988693 0.68 CYP2A6 (0.49) CA12CA9KDM4EALDH1A1CYP1A2
SCHEMBL6783753 0.68 CYP2E1 (0.55) CA12CA9KDM4EALDH1A1TSHR
SCHEMBL6777739 0.67 ADRA1D (0.59) L3MBTL1KDM4EADRA1DADRA1AKMT2A
SCHEMBL14300293 0.67 CA12 (0.46) CA12CA9L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759419-B2 NOOTROPIC AGENTS; BRAIN DISORDERS; ALZHEIMER'S DISEASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-07-06 US claimed
US-20030114491-A1 Pyrrolidinone derivatives, their preparation and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-19 US claimed
US-6759419-B2 NOOTROPIC AGENTS; BRAIN DISORDERS; ALZHEIMER'S DISEASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-07-06 US disclosed
US-20030114491-A1 Pyrrolidinone derivatives, their preparation and pharmaceutical composition comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-06-19 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-20030114491-A1 Pyrrolidinone derivatives, their preparation and pharmaceutical composition comprising the same CHRM1, CHRNA5, CHRNA7 CA12 3244/4885CA9 1821/4885L3MBTL1 4833/4885

“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.