SCHEMBL6737826

SCHEMBL6737826

O=C1NC2CCCCC2NC(=O)c2cccc(c2)C(=O)NC2CCCCC2NC(=O)c2cccc1c2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CDC7 O00311 2/20 0.32
DBF4 Q9UBU7 1/20 0.32
HTR2A P28223 5/20 0.32
HTR2C P28335 5/20 0.32
HTR2B P41595 5/20 0.32
BRD4 O60885 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
OPRL1 P41146 1/20 0.31
LHCGR P22888 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL6736989 1.00 PARP1 (0.46) PARP1LMNATSHRALDH1A1PKM
SCHEMBL13303432 0.86 PARP1 (0.37) PARP1LMNATSHRCDC7
SCHEMBL13688300 0.86 PARP1 (0.37) PARP1LMNATSHRHDAC4HDAC2
SCHEMBL27848116 0.78 ALDH1A1 (0.55) PARP1LMNATSHRALDH1A1PKM
SCHEMBL1189771 0.78 ALDH1A1 (0.55) PARP1LMNATSHRALDH1A1PKM
SCHEMBL2904793 0.78 ALDH1A1 (0.55) PARP1LMNATSHRALDH1A1PKM
SCHEMBL19546338 0.75 ALDH1A1 (0.52) PARP1LMNATSHRALDH1A1PKM
SCHEMBL19546339 0.75 ALDH1A1 (0.52) PARP1LMNATSHRALDH1A1PKM
SCHEMBL1246496 0.68 MEN1 (0.36) LMNAALDH1A1HDAC4HDAC2HDAC8
SCHEMBL6053309 0.68 GSK3B (0.46) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-7767810-B2 Macrocyclic modules comprising linked cyclic synthon units for use in the formation of selectively permeable membranes COVALENT PARTNERS, LLC (US) 2010-08-03 US disclosed
US-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON COVALENT PARTNERS LLC 2010-06-17 US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 US disclosed
US-7563890-B2 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC (US) 2009-07-21 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 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 (3 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-20100152438-A1 AMPHIPHILIC MOLECULAR MODULES AND CONSTRUCTS BASED THEREON ANXA6, THEM6, ANXA5 PARP1 3323/4885LMNA 1456/4885TSHR 4398/4885
US-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 PARP1 1497/4885LMNA 1246/4885TSHR 4727/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 PARP1 1445/4885LMNA 1218/4885TSHR 4746/4885

“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.