SCHEMBL2376431

SCHEMBL2376431

CC(c1cccs1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
RBP1 P09455 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 5/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KEAP1 Q14145 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL2412185 0.98 ALOX5 (0.53) ALOX5RBP1LMNAL3MBTL1NPSR1
Hydrochloric Acid SCHEMBL9472516 0.78 ALOX5 (0.51) ALOX5RBP1LMNAL3MBTL1NPSR1
SCHEMBL2456760 0.77 ALOX5 (0.50) ALOX5RBP1LMNAL3MBTL1NPSR1
SCHEMBL9242154 0.76 ALOX5 (0.41) ALOX5RBP1LMNAL3MBTL1TP53
SCHEMBL79717 0.75
SCHEMBL2030838 0.75 ALOX5 (0.47) ALOX5LMNAL3MBTL1NPSR1POLB
SCHEMBL11329381 0.75
SCHEMBL1535361 0.75 ALOX5 (0.45) ALOX5LMNAL3MBTL1NPSR1TP53
SCHEMBL11218264 0.75 ALDH1A1 (0.50) ALOX5L3MBTL1NPSR1MAPTCES2
Hydrochloric Acid SCHEMBL1281247 0.75 ALOX5 (0.49) ALOX5RBP1LMNAL3MBTL1NPSR1

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
WO-2020020370-A1 METHOD FOR PREPARING TRIMETHYLAMMONIUMETHIONYL DIETHYL ESTER IODIDE 上饶市康可得生物科技有限公司 2020-01-30 WO disclosed
US-20110313147-A1 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH PALL CORPORATION (US) 2011-12-22 US disclosed
US-8021889-B2 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2011-09-20 US disclosed
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
US-7473777-B2 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-06 US disclosed
US-20070151910-A1 Chromatographic material for the absorption of proteins at physiological ionic strength PALL CORPORATION (US) 2007-07-05 US disclosed
EP-1715948-A2 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH Pall Corporation (US) 2006-11-02 EP disclosed
CN-1680380-A Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2005-10-12 CN disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-20050203293-A1 Method for production of halogen-containing phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-09-15 US disclosed
WO-2005073711-A2 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH PALL CORPORATION (US) 2005-08-11 WO disclosed
US-5214130-A Synthesis of novel immunosuppressive cyclosporin analogs with modified amino acids at position-8 MERCK & CO., INC. (US) 1993-05-25 US disclosed
US-5122511-A IMMUNOSUPPRESSIVE CYCLOSPORIN ANALOGS WITH MODIFIED AMINO ACIDS AT POSITION-8 MERCK & CO., INC. (US) 1992-06-16 US disclosed
EP-0444897-A1 Novel immunosuppressive cyclosporin analogs with modified amino acids at position-8 MERCK & CO. INC. (US) 1991-09-04 EP 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-20110313147-A1 CHROMATOGRAPHIC MATERIAL FOR THE ABSORPTION OF PROTEINS AT PHYSIOLOGICAL IONIC STRENGTH SLC7A1, MAX, STAMBP ALOX5 4801/4885RBP1 1022/4885LMNA 2625/4885

“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.