SCHEMBL4184595

SCHEMBL4184595

NCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
CTSC P53634 2/20 0.50
GAA P10253 1/20 0.50
SLC6A9 P48067 2/20 0.49
SLC6A5 Q9Y345 2/20 0.49
MDM4 O15151 1/20 0.49
MAPT P10636 1/20 0.49
MDM2 Q00987 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGDS O60760 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL4001999 0.90 SLC6A9 (0.63) TSHRKMT2AALDH1A1HPGDLMNA
SCHEMBL2010681 0.90 LMNA (0.69) TSHRKMT2AALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL2010289 0.88 SLC6A9 (0.62) TSHRKMT2AALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL2008550 0.88 LMNA (0.67) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL7369365 0.88 SLC6A9 (0.59) TSHRKMT2AALDH1A1HPGDL3MBTL1
SCHEMBL8212646 0.86 KDM4E (0.57) TSHRKMT2AALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL2007082 0.84 KDM4E (0.56) TSHRKMT2AALDH1A1HPGDMEN1
SCHEMBL16935767 0.82 CTSC (0.49) TSHRLMNACTSCGAA
SCHEMBL21331608 0.82 CTSC (0.53) TSHRALDH1A1LMNACTSCMAPT
SCHEMBL9844158 0.82 TSHR (0.59) TSHRKMT2AALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-8722919-B2 Process for production of mono-substituted alkylated compound using aldimine or derivative thereof NAGASE & CO., LTD. (JP) 2014-05-13 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & CO., LTD. (JP) 2009-02-26 US disclosed
EP-1930315-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF NAGASE & COMPANY, LTD. (JP) 2008-06-11 EP disclosed
EP-0777680-B1 UROKINASE RECEPTOR LIGANDS CHIRON CORP (US) 2002-03-20 EP disclosed
WO-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 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-20090054679-A1 PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF AADAT, BCAT2, BCAT1 TSHR 4219/4885KMT2A 237/4885ALDH1A1 131/4885

“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.