SCHEMBL372279

SCHEMBL372279

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL372284 0.81 KDM4E (0.39) HDAC4HDAC1MGAMHDAC3HDAC7
SCHEMBL372278 0.79 MGAM (0.41) HDAC4HDAC1MGAMHDAC3HDAC7
SCHEMBL30457634 0.78 CTSK (0.40) KMT2AALDH1A1
SCHEMBL27606683 0.71 KDM4E (0.41) HDAC4HDAC1MGAMHDAC3HDAC7
SCHEMBL6245577 0.71 KDM4E (0.43) HDAC4HDAC1MGAMHDAC3HDAC7
SCHEMBL372283 0.71 MGAM (0.42) HDAC4HDAC1MGAMHDAC3HDAC7
SCHEMBL29098611 0.70 HDAC4 (0.41) HDAC4HDAC1MGAMHDAC3HDAC7
SCHEMBL28169186 0.70 MGAM (0.51) MGAMOGATRPV1AKR1C3AKR1C2
SCHEMBL30475688 0.69 MGAM (0.59) MGAMTRPV1KDM4EKMT2ASMN1; SMN2
SCHEMBL4770793 0.69 MGAM (0.59) MGAMTRPV1KDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 US disclosed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US disclosed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 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-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 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 (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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 HDAC4 68/4885HDAC1 76/4885MGAM 16/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 HDAC4 68/4885HDAC1 76/4885MGAM 16/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 HDAC4 68/4885HDAC1 76/4885MGAM 16/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 HDAC4 68/4885HDAC1 76/4885MGAM 16/4885

“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.