SCHEMBL4200796

SCHEMBL4200796

CCOC(=O)c1[nH]ccc1NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 4/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NUDT1 P36639 1/20 0.43
TSHR P16473 2/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL1492325 0.86 KDM4E (0.50) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL25241521 0.85 KDM4E (0.51) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL2626729 0.81 KMT2A (0.44) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL4393322 0.80 KDM4E (0.41) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL18557963 0.79 KMT2A (0.43) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL25892876 0.79 KMT2A (0.43) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL24958271 0.78 SMN1; SMN2 (0.44) ALDH1A1LMNAGAAHPGDHTT
Hydrochloric Acid SCHEMBL15741118 0.77 ALDH1A1 (0.39) ALDH1A1LMNAGAAHPGDHTT
SCHEMBL31556680 0.77 MAPT (0.54) ALDH1A1LMNAHPGDRAB9AKDM4E
SCHEMBL1536614 0.77 ALDH1A1 (0.44) ALDH1A1LMNAGAAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205766-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO disclosed
WO-2017205762-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO disclosed
WO-2017205762-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO disclosed
WO-2017205766-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP 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 (2 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 ALDH1A1 1767/4885LMNA 4047/4885GAA 4302/4885
US-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 ALDH1A1 1906/4885LMNA 4719/4885GAA 3723/4885

“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.