SCHEMBL2497201

SCHEMBL2497201

CCC(C)(C)NC(=NC#N)Nc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.62
KCNJ11 Q14654 8/20 0.62
ABCC8 Q09428 6/20 0.62
KCNJ8 Q15842 6/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
LMNA P02545 3/20 0.48
P2RX7 Q99572 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL6647586 1.00 ABCC9 (0.62) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11168464 0.92 ABCC9 (0.60) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11153498 0.91 ABCC9 (0.58) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11152102 0.90 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL9551254 0.89 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL9463611 0.89 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11162938 0.88 ABCC9 (0.55) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11166861 0.86 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL11157789 0.85 ABCC9 (0.51) ABCC9KCNJ11ABCC8KCNJ8KMT2A
SCHEMBL8774802 0.84 ABCC9 (0.50) ABCC9KCNJ11ABCC8KCNJ8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157755-A1 Novel detergent compositions with enhanced depositing, conditioning and softness capabilities JOHNSON & JOHNSON CONSUMER INC. 2004-08-12 US claimed
US-20030176303-A1 Novel detergent compositions with enhanced depositing, conditioning and softness capabilities JOHNSON & JOHNSON CONSUMER INC. 2003-09-18 US claimed
US-6419913-B1 ENHANCING THE TRANSMEMBRANE PENETRATION OF BENEFIT AGENTS USING A CERTAIN NON-IONIC LIPID/SURFACTANT-CONTAINING FORMULATION; ESPECIALLY FOR TREATING ANDROGENETIC ALOPECIA WITH MINOXIDIL JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2002-07-16 US claimed
US-20020048558-A1 Topical delivery systems for active agents JOHNSON & JOHNSON CONSUMER INC. 2002-04-25 US claimed
EP-1104280-A2 TOPICAL DELIVERY SYSTEMS FOR ACTIVE AGENTS Johnson & Johnson Consumer Companies, Inc. (US) 2001-06-06 EP claimed
EP-1060732-A2 Novel topical formulations comprising vesicle delivery systems JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 2000-12-20 EP claimed
WO-2000007627-A2 TOPICAL DELIVERY SYSTEMS FOR ACTIVE AGENTS JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2000-02-17 WO claimed
US-RE31244-E Antihypertensive pyridylguanidine compounds LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1983-05-17 US claimed
EP-1458337-B1 STABLE SURFACTANT COMPOSITIONS FOR SUSPENDING COMPONENTS SOLVAY USA INC (US) 2016-05-04 EP disclosed
US-20140065088-A1 COMBINED STABLE CATIONIC AND ANIONIC SURFACTANT COMPOSITIONS RHODIA OPERATIONS (FR) 2014-03-06 US disclosed
US-20130171088-A1 COMBINED STABLE CATIONIC AND ANIONIC SURFACTANT COMPOSITIONS RHODIA OPERATIONS (FR) 2013-07-04 US disclosed
US-20130156712-A1 STABLE SURFACTANT COMPOSITIONS FOR SUSPENDING COMPONENTS RHODIA OPERATIONS (FR) 2013-06-20 US disclosed
US-8394361-B1 Stable surfactant compositions for suspending components RHODIA OPERATIONS (FR) 2013-03-12 US disclosed
US-20120213722-A1 Combined Stable Cationic And Anionic Surfactant Compositions RHODIA OPERATIONS (FR) 2012-08-23 US disclosed
US-6284234-B1 Topical delivery systems for active agents JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2001-09-04 US disclosed
EP-1104280-A2 TOPICAL DELIVERY SYSTEMS FOR ACTIVE AGENTS Johnson & Johnson Consumer Companies, Inc. (US) 2001-06-06 EP disclosed
WO-2001036422-A1 TRICYCLIC DIHYDROPYRIMIDINE POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-05-25 WO disclosed
WO-2000007627-A2 TOPICAL DELIVERY SYSTEMS FOR ACTIVE AGENTS JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2000-02-17 WO disclosed
US-5244664-A Hair growth LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1993-09-14 US disclosed
US-RE31244-E Antihypertensive pyridylguanidine compounds LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1983-05-17 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 (7 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-20030176303-A1 Novel detergent compositions with enhanced depositing, conditioning and softness capabilities CUTA, SGMS2, POLR1C ABCC9 2023/4885KCNJ11 581/4885ABCC8 1023/4885
US-20130171088-A1 COMBINED STABLE CATIONIC AND ANIONIC SURFACTANT COMPOSITIONS PHOSPHO1, PLA2G2C, SPTAN1 ABCC9 1396/4885KCNJ11 1725/4885ABCC8 2516/4885
US-20140065088-A1 COMBINED STABLE CATIONIC AND ANIONIC SURFACTANT COMPOSITIONS PHOSPHO1, PLA2G2C, SPTAN1 ABCC9 1396/4885KCNJ11 1725/4885ABCC8 2516/4885
US-20020048558-A1 Topical delivery systems for active agents SLC25A20, PLIN5, PLIN1 ABCC9 1560/4885KCNJ11 1057/4885ABCC8 1224/4885
US-20040157755-A1 Novel detergent compositions with enhanced depositing, conditioning and softness capabilities CUTA, SGMS2, POLR1C ABCC9 2023/4885KCNJ11 581/4885ABCC8 1023/4885
US-20130156712-A1 STABLE SURFACTANT COMPOSITIONS FOR SUSPENDING COMPONENTS PHOSPHO1, DEGS1, SPTAN1 ABCC9 2240/4885KCNJ11 853/4885ABCC8 1374/4885
US-20120213722-A1 Combined Stable Cationic And Anionic Surfactant Compositions PHOSPHO1, PLA2G2C, SPTAN1 ABCC9 1396/4885KCNJ11 1725/4885ABCC8 2516/4885

“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.