SCHEMBL4045277

SCHEMBL4045277

CCCCNC(=O)c1cccs1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.81
GAA P10253 3/20 0.72
HDAC3 O15379 1/20 0.72
NPC1 O15118 5/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.65
HDAC1 Q13547 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
TSHR P16473 3/20 0.63
HTT P42858 3/20 0.63
GLA P06280 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
RAB9A P51151 4/20 0.62
KMT2A Q03164 1/20 0.61
LMNA P02545 2/20 0.57

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
SCHEMBL5246151 0.95 KDM4E (0.78) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL6928579 0.94 KDM4E (0.76) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL3077089 0.90 KDM4E (0.74) KDM4EGAAHDAC3NPC1CYP1A2
Hydrochloric Acid SCHEMBL31169755 0.88 KDM4E (0.72) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL6127192 0.88 KDM4E (0.89) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL18197872 0.85 KDM4E (0.84) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL27189083 0.85 GAA (0.65) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL18906066 0.85 KDM4E (0.83) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL1864971 0.84 GAA (0.85) KDM4EGAAHDAC3NPC1CYP1A2
SCHEMBL27447873 0.84 HDAC3 (1.00) KDM4EGAAHDAC3NPC1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013144737-A2 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2013-10-03 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-2038289-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2009-03-25 EP disclosed
WO-2007124181-A2 THIENO-[2,3-D]PYRIMIDINE AND THIENO-PYRIDAZINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-11-01 WO 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KDM4E 128/4885GAA 551/4885HDAC3 78/4885

“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.