SCHEMBL12233427

SCHEMBL12233427

COc1ccc(C#CC(=O)Nc2c(N)n(N(C)C)c(=O)[nH]c2=O)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP10 P09238 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ VCP P55072 1/20 0.34
▸ TSHR P16473 4/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL2538829 0.84 ALDH1A1 (0.46) KDM4EHSD17B10USP2ALDH1A1MAPT
SCHEMBL8182461 0.81 SMN1; SMN2 (0.52) KDM4EHSD17B10ALDH1A1MAPTSMN1; SMN2
SCHEMBL12233448 0.78 MET (0.34) ALDH1A1SMN1; SMN2ACACBMAPK1
SCHEMBL12257867 0.72 ALDH1A1 (0.34) KDM4EHSD17B10USP2ALDH1A1MAPT
SCHEMBL2536394 0.67 MAPT (0.35) ALDH1A1MAPTSMN1; SMN2KMT2AACACB
SCHEMBL12233411 0.67 KDM4E (0.35) KDM4EMAPTSMN1; SMN2KMT2ATSHR
SCHEMBL12233436 0.65 MEN1 (0.38) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL8189626 0.65 TSHR (0.55) KDM4EHSD17B10USP2ALDH1A1MAPT
SCHEMBL2536982 0.64 CA12 (0.53) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL8195252 0.63 ACACB (0.50) ALDH1A1MAPTSMN1; SMN2TSHRACACB

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-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 — — US disclosed
US-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 — — US disclosed
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 — — US disclosed
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 — — 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-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES SLC6A3, PARK7, SLC18A2 KDM4E 3538/4885HSD17B10 616/4885USP2 2988/4885

“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.

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