SCHEMBL2352841

SCHEMBL2352841

CCCCNC(=O)c1nnnc(C(=O)NCCCC)c1C(=O)NCCCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MMP2 P08253 1/20 0.43
NAAA Q02083 2/20 0.41
HPGD P15428 1/20 0.41
EPHX1 P07099 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL31467551 0.72 EPHX1 (0.64) HTTSMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL14344290 0.72 HTT (0.49) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL31290295 0.72 HTT (0.77) HTTTSHRSMN1; SMN2ALDH1A1MMP2
SCHEMBL2352832 0.71 TSHR (0.55) HTTTSHRSMN1; SMN2RAB9AALDH1A1
SCHEMBL11530961 0.70 HTT (0.42) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL25087402 0.69 HPGD (0.50) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL13528392 0.69 HTT (0.45) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL16088178 0.69 KMT2A (0.54) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL19176808 0.69 KDM4E (0.50) HTTTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL162819 0.69 KDM4E (0.50) HTTTSHRSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015028513-A1 ANTIMICROBIAL COATINGS BASF SE (DE) 2015-03-05 WO disclosed
US-8742003-B2 Silylated amino resins BASF SE (DE) 2014-06-03 US disclosed
US-20140066552-A1 SILYLATED AMINO RESINS BASF SE (DE) 2014-03-06 US disclosed
US-8657947-B2 Silylated amino resins BASF SE (DE) 2014-02-25 US disclosed
EP-2675830-A1 SILYLATED AMINO RESINS BASF SE (DE) 2013-12-25 EP disclosed
US-8541320-B2 Silylated amino resins BASF SE (DE) 2013-09-24 US disclosed
US-20130035435-A1 SILYLATED AMINO RESINS BASF SE (DE) 2013-02-07 US disclosed
US-20130005204-A1 SILYLATED AMINO RESINS BASF SE (DE) 2013-01-03 US disclosed
US-20130000516-A1 SILYLATED AMINO RESINS BASF SE (DE) 2013-01-03 US disclosed
EP-2536773-A1 SILYLATED AMINO RESINS BASF SE (DE) 2012-12-26 EP disclosed
US-8309649-B2 Silylated amino resins BASF SE (DE) 2012-11-13 US disclosed
WO-2012110926-A1 SILYLATED AMINO RESINS BASF SE (DE) 2012-08-23 WO disclosed
US-20110213068-A1 SILYLATED AMINO RESINS BASF SE (DE) 2011-09-01 US disclosed
WO-2011101301-A1 SILYLATED AMINO RESINS BASF SE (DE) 2011-08-25 WO disclosed
EP-0758325-B1 A PROCESS FOR PREPARING ISOCYANATE AND ISOCYANATE-BASED DERIVATIVES OF CERTAIN AMINO-1,3,5-TRIAZINES BY DIRECT PHOSGENATION CYTEC TECH CORP (US) 2003-07-02 EP disclosed
EP-0758325-A1 A PROCESS FOR PREPARING ISOCYANATE AND ISOCYANATE-BASED DERIVATIVES OF CERTAIN AMINO-1,3,5-TRIAZINES BY DIRECT PHOSGENATION CYTEC TECHNOLOGY CORP. (US) 1997-02-19 EP disclosed
US-5556971-A Process for preparing isocyanate and isocyanate-based derivatives of certain amino-1,3,5-triazines by direct phosgenation CYTEC TECHNOLOGY CORP. (US) 1996-09-17 US disclosed
WO-1995030663-A1 A PROCESS FOR PREPARING ISOCYANATE AND ISOCYANATE-BASED DERIVATIVES OF CERTAIN AMINO-1,3,5-TRIAZINES BY DIRECT PHOSGENATION CYTEC TECHNOLOGY CORP. (US) 1995-11-16 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-20130000516-A1 SILYLATED AMINO RESINS BCAT1, BCAT2, NPEPPS HTT 1404/4885TSHR 4196/4885SMN1; SMN2 2316/4885

“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.