SCHEMBL372485

SCHEMBL372485

CC(C)(C)OC(=O)OCC#Cc1cnc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
ACACB O00763 1/20 0.47
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 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
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38

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
SCHEMBL372484 0.81 ALDH1A1 (0.70) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL23789477 0.81 ALDH1A1 (0.55) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL14268910 0.81 ALDH1A1 (0.61) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL372612 0.78 ALDH1A1 (0.54) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL372205 0.78 ALDH1A1 (0.56) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL18036571 0.77 TTR (0.40) ALDH1A1KDM4EKMT2ASMN1; SMN2MGAM
SCHEMBL14294117 0.75 ALDH1A1 (0.62) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL6881031 0.74 ALDH1A1 (0.66) ALDH1A1ACACBKDM4EKMT2ASMN1; SMN2
SCHEMBL6378320 0.73 KDM4E (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2HDAC4
SCHEMBL372483 0.73 KDM4E (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2HDAC4

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
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
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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885KDM4E 211/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885KDM4E 211/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885KDM4E 211/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885KDM4E 211/4885

“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.