SCHEMBL372284

SCHEMBL372284

C=CC(OC(=O)OC(C)(C)C)c1cnc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
MGAM O43451 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SCN9A Q15858 1/20 0.37
OGA O60502 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL372279 0.81 HDAC4 (0.39) KDM4EKMT2ASMN1; SMN2HDAC4HDAC1
SCHEMBL27606683 0.81 KDM4E (0.41) KDM4EKMT2ASMN1; SMN2HDAC4HDAC1
SCHEMBL372283 0.80 MGAM (0.42) KDM4EKMT2ASMN1; SMN2HDAC4HDAC1
SCHEMBL21294950 0.78 MAPT (0.41) KDM4EKMT2AALDH1A1
SCHEMBL6720687 0.77 KDM4E (0.36) KDM4EKMT2ASMN1; SMN2MGAMRAB9A
SCHEMBL5998390 0.74 KDM4E (0.42) KDM4EKMT2ASMN1; SMN2MGAMSCN9A
SCHEMBL372278 0.72 MGAM (0.41) KDM4EKMT2ASMN1; SMN2HDAC4HDAC1
SCHEMBL28422766 0.71 ELANE (0.30)
SCHEMBL28517755 0.71 UGT2B7 (0.44) KDM4EKMT2ASMN1; SMN2CYP1A2MEN1
SCHEMBL5200183 0.71 MGAM (0.50) KDM4EKMT2ASMN1; SMN2HDAC4HDAC1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272500-B1 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSITUTED ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2005-05-04 EP claimed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US claimed
EP-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1345954-B1 METHODS UTILIZING ARYL THIOIMINES IN SYNTHESIS OF ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2008-06-04 EP disclosed
US-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-7271155-B2 9A, 11-2C-bicyclic 9a-azalide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-6579986-B2 Metal-catalyzed coupling reactions for 6-o-substituted macrolide antibiotics ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US disclosed
US-6455680-B1 PROTECTING A KETONE OF A KETONE-CONTAINING ERYTHROMYCIN DERIVATIVE AS AN ARYL THIOIMINE (AR-S-N=) BY REACTING THE KETONE WITH A HYDROXYLAMINE TO FORM AN OXIME, AND THEN REACTING WITH A TRIALKYL PHOSPHINE AND AN ARYL DISULFIDE ABBOTT LABORATORIES 2002-09-24 US disclosed
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives ABBVIE INC. 2002-08-22 US disclosed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 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 (4 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-20070259822-A1 8A,11-BICYCLIC 8A-AZALIDE DERIVATIVES CYP3A7, CYP2C8, CYP51A1 KDM4E 224/4885KMT2A 1488/4885SMN1; SMN2 3555/4885
US-20020115835-A1 Methods utilizing aryl thioimines in synthesis of erythromycin derivatives CYP2C9, CYP2B6, POR KDM4E 541/4885KMT2A 2229/4885SMN1; SMN2 4157/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 KDM4E 211/4885KMT2A 567/4885SMN1; SMN2 4246/4885

“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.